4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carbonitrile;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;5-[[2-[(1S)-1-methoxyethyl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine

C81H105N21O6 — CID 159022182

IUPAC4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carbonitrile;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;5-[[2-[(1S)-1-methoxyethyl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine
SMILESCC[C@@H](C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CO[C@@H](C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(C#N)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C3CC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C3CCCC3)ncc2C(C)C)c(N)n1
InChIInChI=1S/C18H24N4O.C17H24N4O.C16H22N4O2.C16H20N4O.C14H15N5O/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;1-6-11(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(10(3)21-5)6-14(12)22-15-8-18-11(4)20-16(15)17;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)11-6-18-10(5-15)4-12(11)20-13-7-17-9(3)19-14(13)16/h8-11,13H,4-7H2,1-3H3,(H2,19,20,22);7-11H,6H2,1-5H3,(H2,18,19,21);6-10H,1-5H3,(H2,17,18,20);6-9,11H,4-5H2,1-3H3,(H2,17,18,20);4,6-8H,1-3H3,(H2,16,17,19)/t;11-;10-;;/m.10../s1
InChIKeyJTVJCYRZFAKKSN-GXORSDJBSA-N
MW1468.87 g/mol
LogP18.02
Rot. Bonds21

About 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carbonitrile;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;5-[[2-[(1S)-1-methoxyethyl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine

4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carbonitrile;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;5-[[2-[(1S)-1-methoxyethyl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine (PubChem CID 159022182) has the molecular formula C81H105N21O6 and a molecular weight of 1468.87 g/mol. Its IUPAC name is 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carbonitrile;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;5-[[2-[(1S)-1-methoxyethyl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carbonitrile;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;5-[[2-[(1S)-1-methoxyethyl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine
PubChem CID159022182
Molecular FormulaC81H105N21O6
Molecular Weight1468.87 g/mol
Exact Mass1467.86
IUPAC Name4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carbonitrile;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;5-[[2-[(1S)-1-methoxyethyl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine
SMILESCC[C@@H](C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CO[C@@H](C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(C#N)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C3CC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C3CCCC3)ncc2C(C)C)c(N)n1
InChIInChI=1S/C18H24N4O.C17H24N4O.C16H22N4O2.C16H20N4O.C14H15N5O/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;1-6-11(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(10(3)21-5)6-14(12)22-15-8-18-11(4)20-16(15)17;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)11-6-18-10(5-15)4-12(11)20-13-7-17-9(3)19-14(13)16/h8-11,13H,4-7H2,1-3H3,(H2,19,20,22);7-11H,6H2,1-5H3,(H2,18,19,21);6-10H,1-5H3,(H2,17,18,20);6-9,11H,4-5H2,1-3H3,(H2,17,18,20);4,6-8H,1-3H3,(H2,16,17,19)/t;11-;10-;;/m.10../s1
InChIKeyJTVJCYRZFAKKSN-GXORSDJBSA-N
XLogP18.02
TPSA402.62 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001468.87
LogP ≤ 518.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carbonitrile;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;5-[[2-[(1S)-1-methoxyethyl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carbonitrile;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;5-[[2-[(1S)-1-methoxyethyl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
The IUPAC name of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carbonitrile;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;5-[[2-[(1S)-1-methoxyethyl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine (CID 159022182) is 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carbonitrile;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;5-[[2-[(1S)-1-methoxyethyl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carbonitrile;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;5-[[2-[(1S)-1-methoxyethyl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
The canonical SMILES for 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carbonitrile;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;5-[[2-[(1S)-1-methoxyethyl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine is CC[C@@H](C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CO[C@@H](C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(C#N)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C3CC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C3CCCC3)ncc2C(C)C)c(N)n1.
What is the InChIKey of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carbonitrile;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;5-[[2-[(1S)-1-methoxyethyl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
The InChIKey is JTVJCYRZFAKKSN-GXORSDJBSA-N. The full InChI is InChI=1S/C18H24N4O.C17H24N4O.C16H22N4O2.C16H20N4O.C14H15N5O/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;1-6-11(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(10(3)21-5)6-14(12)22-15-8-18-11(4)20-16(15)17;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)11-6-18-10(5-15)4-12(11)20-13-7-17-9(3)19-14(13)16/h8-11,13H,4-7H2,1-3H3,(H2,19,20,22);7-11H,6H2,1-5H3,(H2,18,19,21);6-10H,1-5H3,(H2,17,18,20);6-9,11H,4-5H2,1-3H3,(H2,17,18,20);4,6-8H,1-3H3,(H2,16,17,19)/t;11-;10-;;/m.10../s1.
What are the key properties of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carbonitrile;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;5-[[2-[(1S)-1-methoxyethyl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carbonitrile;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;5-[[2-[(1S)-1-methoxyethyl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine has a molecular weight of 1468.87 g/mol, XLogP of 18.02, 21 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carbonitrile;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;5-[[2-[(1S)-1-methoxyethyl]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 159022182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).