4-(6-methoxy-3-pyridinyl)-6-methyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-2-amine

C19H18N6O — CID 143932920

IUPAC4-(6-methoxy-3-pyridinyl)-6-methyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-2-amine
SMILESCNc1ccc(C#Cc2c(C)nc(N)nc2-c2ccc(OC)nc2)cn1
InChIInChI=1S/C19H18N6O/c1-12-15(7-4-13-5-8-16(21-2)22-10-13)18(25-19(20)24-12)14-6-9-17(26-3)23-11-14/h5-6,8-11H,1-3H3,(H,21,22)(H2,20,24,25)
InChIKeyFQGXWQKVZWDUCL-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.27
Rot. Bonds3

About 4-(6-methoxy-3-pyridinyl)-6-methyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-2-amine

4-(6-methoxy-3-pyridinyl)-6-methyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-2-amine (PubChem CID 143932920) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-(6-methoxy-3-pyridinyl)-6-methyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-methoxy-3-pyridinyl)-6-methyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-2-amine
PubChem CID143932920
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name4-(6-methoxy-3-pyridinyl)-6-methyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-2-amine
SMILESCNc1ccc(C#Cc2c(C)nc(N)nc2-c2ccc(OC)nc2)cn1
InChIInChI=1S/C19H18N6O/c1-12-15(7-4-13-5-8-16(21-2)22-10-13)18(25-19(20)24-12)14-6-9-17(26-3)23-11-14/h5-6,8-11H,1-3H3,(H,21,22)(H2,20,24,25)
InChIKeyFQGXWQKVZWDUCL-UHFFFAOYSA-N
XLogP2.27
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-amino-6-methyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-4-yl]-4-fluorobenzonitrile
CID 58513505
methyl 4-[2-amino-5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]benzoate
CID 58513426
5-[2-[6-(ethylamino)-3-pyridinyl]ethynyl]-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine
CID 58513551
5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-quinoxalin-6-ylpyrimidin-2-amine
CID 58513154
5-[2-amino-5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]-2-chlorobenzoic acid
CID 58513553
5-[2-(6-amino-3-pyridinyl)ethynyl]-4-(1,3-benzodioxol-5-yl)-6-methylpyrimidin-2-amine
CID 58513218
5-[2-amino-5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]-N,N-diethyl-2-fluorobenzamide
CID 58513217
5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrimidin-2-amine
CID 58513326
5-[[2-amino-6-chloro-5-[2-(6-methoxy-3-pyridinyl)ethynyl]pyrimidin-4-yl]amino]-2-ethylpentan-1-ol
CID 143946802
5-(6-methoxy-3-pyridinyl)-6-methylpyridin-2-amine
CID 11171929
4-methyl-6-(4-methylsulfanylphenyl)-5-prop-1-ynylpyrimidin-2-amine
CID 143932949
4-methyl-6-(4-methylsulfanylphenyl)-5-prop-1-ynylpyrimidin-2-amine;methylsulfanylmethane
CID 143932948

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3-pyridinyl)-6-methyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-2-amine?
The IUPAC name of 4-(6-methoxy-3-pyridinyl)-6-methyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-2-amine (CID 143932920) is 4-(6-methoxy-3-pyridinyl)-6-methyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(6-methoxy-3-pyridinyl)-6-methyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-2-amine?
The canonical SMILES for 4-(6-methoxy-3-pyridinyl)-6-methyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-2-amine is CNc1ccc(C#Cc2c(C)nc(N)nc2-c2ccc(OC)nc2)cn1.
What is the InChIKey of 4-(6-methoxy-3-pyridinyl)-6-methyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-2-amine?
The InChIKey is FQGXWQKVZWDUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-12-15(7-4-13-5-8-16(21-2)22-10-13)18(25-19(20)24-12)14-6-9-17(26-3)23-11-14/h5-6,8-11H,1-3H3,(H,21,22)(H2,20,24,25).
What are the key properties of 4-(6-methoxy-3-pyridinyl)-6-methyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-2-amine?
4-(6-methoxy-3-pyridinyl)-6-methyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-2-amine has a molecular weight of 346.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3-pyridinyl)-6-methyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-2-amine is sourced from PubChem (CID 143932920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).