5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine

C16H18N4O2 — CID 158874276

IUPAC5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine
SMILESC#Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)nc1OC
InChIInChI=1S/C16H18N4O2/c1-6-11-7-12(14(9(2)3)20-16(11)21-5)22-13-8-18-10(4)19-15(13)17/h1,7-9H,2-5H3,(H2,17,18,19)
InChIKeyRLDRAHWLXTVLJZ-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.67
Rot. Bonds4

About 5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine

5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine (PubChem CID 158874276) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine
PubChem CID158874276
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine
SMILESC#Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)nc1OC
InChIInChI=1S/C16H18N4O2/c1-6-11-7-12(14(9(2)3)20-16(11)21-5)22-13-8-18-10(4)19-15(13)17/h1,7-9H,2-5H3,(H2,17,18,19)
InChIKeyRLDRAHWLXTVLJZ-UHFFFAOYSA-N
XLogP2.67
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 130435933
ethane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 145370745
5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 130474262
5-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxypyrimidine-2,4-diamine
CID 145374317
5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine
CID 147984735
5-(2-ethynyl-5-iodo-4-methoxyphenoxy)pyrimidine-2,4-diamine
CID 87596990
CID 162167197
CID 162167197
2-methyl-5-[(2-methylselanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
CID 158850448
5-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxypyrimidine-2,4-diamine
CID 130474372
2-methyl-5-(4-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine;2-(4-methyl-2-propan-2-ylphenoxy)acetonitrile
CID 159163664
5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine
CID 159145940
[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]urea
CID 158445340

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine (CID 158874276) is 5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine is C#Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)nc1OC.
What is the InChIKey of 5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine?
The InChIKey is RLDRAHWLXTVLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-6-11-7-12(14(9(2)3)20-16(11)21-5)22-13-8-18-10(4)19-15(13)17/h1,7-9H,2-5H3,(H2,17,18,19).
What are the key properties of 5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine?
5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine has a molecular weight of 298.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 158874276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).