5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine

C99H133N24O8PS — CID 167687744

IUPAC5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine
SMILESCC[C@@H](C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CC[C@H](C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(C3CC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C3CCCC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(P3(=O)CCCC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(C)=O)ncc2C(C)C)c(N)n1
InChIInChI=1S/C18H24N4O.C17H23N4O2P.2C17H24N4O.C16H20N4O.C14H18N4O2S/c1-11(2)14-9-21-15(13-6-4-5-7-13)8-16(14)23-17-10-20-12(3)22-18(17)19;1-11(2)13-9-20-16(24(22)6-4-5-7-24)8-14(13)23-15-10-19-12(3)21-17(15)18;2*1-6-11(4)14-7-15(13(8-20-14)10(2)3)22-16-9-19-12(5)21-17(16)18;1-9(2)12-7-19-13(11-4-5-11)6-14(12)21-15-8-18-10(3)20-16(15)17;1-8(2)10-6-17-13(21(4)19)5-11(10)20-12-7-16-9(3)18-14(12)15/h8-11,13H,4-7H2,1-3H3,(H2,19,20,22);8-11H,4-7H2,1-3H3,(H2,18,19,21);2*7-11H,6H2,1-5H3,(H2,18,19,21);6-9,11H,4-5H2,1-3H3,(H2,17,18,20);5-8H,1-4H3,(H2,15,16,18)/t;;2*11-;;/m..10../s1
InChIKeyWLVQZXQBHAVNDE-NXMILNHGSA-N
MW1850.35 g/mol
LogP22.15
Rot. Bonds26

About 5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine

5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine (PubChem CID 167687744) has the molecular formula C99H133N24O8PS and a molecular weight of 1850.35 g/mol. Its IUPAC name is 5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine
PubChem CID167687744
Molecular FormulaC99H133N24O8PS
Molecular Weight1850.35 g/mol
Exact Mass1849.02
IUPAC Name5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine
SMILESCC[C@@H](C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CC[C@H](C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(C3CC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C3CCCC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(P3(=O)CCCC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(C)=O)ncc2C(C)C)c(N)n1
InChIInChI=1S/C18H24N4O.C17H23N4O2P.2C17H24N4O.C16H20N4O.C14H18N4O2S/c1-11(2)14-9-21-15(13-6-4-5-7-13)8-16(14)23-17-10-20-12(3)22-18(17)19;1-11(2)13-9-20-16(24(22)6-4-5-7-24)8-14(13)23-15-10-19-12(3)21-17(15)18;2*1-6-11(4)14-7-15(13(8-20-14)10(2)3)22-16-9-19-12(5)21-17(16)18;1-9(2)12-7-19-13(11-4-5-11)6-14(12)21-15-8-18-10(3)20-16(15)17;1-8(2)10-6-17-13(21(4)19)5-11(10)20-12-7-16-9(3)18-14(12)15/h8-11,13H,4-7H2,1-3H3,(H2,19,20,22);8-11H,4-7H2,1-3H3,(H2,18,19,21);2*7-11H,6H2,1-5H3,(H2,18,19,21);6-9,11H,4-5H2,1-3H3,(H2,17,18,20);5-8H,1-4H3,(H2,15,16,18)/t;;2*11-;;/m..10../s1
InChIKeyWLVQZXQBHAVNDE-NXMILNHGSA-N
XLogP22.15
TPSA477.66 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds26
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001850.35
LogP ≤ 522.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine?
The IUPAC name of 5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine (CID 167687744) is 5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine.
What is the SMILES notation for 5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine?
The canonical SMILES for 5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine is CC[C@@H](C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CC[C@H](C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(C3CC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C3CCCC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(P3(=O)CCCC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(C)=O)ncc2C(C)C)c(N)n1.
What is the InChIKey of 5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine?
The InChIKey is WLVQZXQBHAVNDE-NXMILNHGSA-N. The full InChI is InChI=1S/C18H24N4O.C17H23N4O2P.2C17H24N4O.C16H20N4O.C14H18N4O2S/c1-11(2)14-9-21-15(13-6-4-5-7-13)8-16(14)23-17-10-20-12(3)22-18(17)19;1-11(2)13-9-20-16(24(22)6-4-5-7-24)8-14(13)23-15-10-19-12(3)21-17(15)18;2*1-6-11(4)14-7-15(13(8-20-14)10(2)3)22-16-9-19-12(5)21-17(16)18;1-9(2)12-7-19-13(11-4-5-11)6-14(12)21-15-8-18-10(3)20-16(15)17;1-8(2)10-6-17-13(21(4)19)5-11(10)20-12-7-16-9(3)18-14(12)15/h8-11,13H,4-7H2,1-3H3,(H2,19,20,22);8-11H,4-7H2,1-3H3,(H2,18,19,21);2*7-11H,6H2,1-5H3,(H2,18,19,21);6-9,11H,4-5H2,1-3H3,(H2,17,18,20);5-8H,1-4H3,(H2,15,16,18)/t;;2*11-;;/m..10../s1.
What are the key properties of 5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine?
5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine has a molecular weight of 1850.35 g/mol, XLogP of 22.15, 26 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(2S)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-[(2R)-butan-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopentyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-cyclopropyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine is sourced from PubChem (CID 167687744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).