2-methyl-6-[3-[(3S)-3-pyridin-2-ylbut-1-ynyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine

C23H19N5 — CID 155363993

IUPAC2-methyl-6-[3-[(3S)-3-pyridin-2-ylbut-1-ynyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCc1nc(N)c2nc(-c3cccc(C#C[C@H](C)c4ccccn4)c3)ccc2n1
InChIInChI=1S/C23H19N5/c1-15(19-8-3-4-13-25-19)9-10-17-6-5-7-18(14-17)20-11-12-21-22(28-20)23(24)27-16(2)26-21/h3-8,11-15H,1-2H3,(H2,24,26,27)/t15-/m0/s1
InChIKeyIRFRKPWLYPAKNS-HNNXBMFYSA-N
MW365.44 g/mol
LogP4.13
Rot. Bonds2

About 2-methyl-6-[3-[(3S)-3-pyridin-2-ylbut-1-ynyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine

2-methyl-6-[3-[(3S)-3-pyridin-2-ylbut-1-ynyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 155363993) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-methyl-6-[3-[(3S)-3-pyridin-2-ylbut-1-ynyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[3-[(3S)-3-pyridin-2-ylbut-1-ynyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID155363993
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC Name2-methyl-6-[3-[(3S)-3-pyridin-2-ylbut-1-ynyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCc1nc(N)c2nc(-c3cccc(C#C[C@H](C)c4ccccn4)c3)ccc2n1
InChIInChI=1S/C23H19N5/c1-15(19-8-3-4-13-25-19)9-10-17-6-5-7-18(14-17)20-11-12-21-22(28-20)23(24)27-16(2)26-21/h3-8,11-15H,1-2H3,(H2,24,26,27)/t15-/m0/s1
InChIKeyIRFRKPWLYPAKNS-HNNXBMFYSA-N
XLogP4.13
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-6-[3-[(3S)-3-pyridin-2-ylbut-1-ynyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-6-[3-[(3S)-3-(1,3-thiazol-2-yl)but-1-ynyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 155363999
(2S)-4-[3-(4-amino-2-methylpyrido[3,2-d]pyrimidin-6-yl)phenyl]-2-(4-methyl-1,3-thiazol-5-yl)but-3-yn-2-ol
CID 155340995
3-[2-[3-(4-amino-2-methylpyrido[3,2-d]pyrimidin-6-yl)phenyl]ethynyl]-1-methylpiperidin-2-one
CID 155364050
(3R)-3-[2-[3-(4-amino-2-methylpyrido[3,2-d]pyrimidin-6-yl)phenyl]ethynyl]-1-methylpiperidin-2-one
CID 166765988
(3S)-3-[2-[3-(4-amino-2-methylpyrido[3,2-d]pyrimidin-6-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;sulfane
CID 159853137
6-(2-methoxyphenyl)-2-methylpyrido[3,2-d]pyrimidin-4-amine
CID 163213178
4-[2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenyl]ethynyl]-1-methyl-2H-pyrrol-5-one
CID 155364532
2-[3-[2-[4-[2-(3-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine
CID 101246219
(2S)-2-[2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenyl]ethynyl]-2-hydroxy-5,5-dimethylcyclopentan-1-one
CID 155340705
3-amino-5-(3-cyanophenyl)-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 164607280
4-[3-[2-[4-[2-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102407209
3-[2-[3-(4-amino-2-ethylpyrido[3,2-d]pyrimidin-6-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 175219535

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-[(3S)-3-pyridin-2-ylbut-1-ynyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-[3-[(3S)-3-pyridin-2-ylbut-1-ynyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine (CID 155363993) is 2-methyl-6-[3-[(3S)-3-pyridin-2-ylbut-1-ynyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-[3-[(3S)-3-pyridin-2-ylbut-1-ynyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-[3-[(3S)-3-pyridin-2-ylbut-1-ynyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine is Cc1nc(N)c2nc(-c3cccc(C#C[C@H](C)c4ccccn4)c3)ccc2n1.
What is the InChIKey of 2-methyl-6-[3-[(3S)-3-pyridin-2-ylbut-1-ynyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is IRFRKPWLYPAKNS-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H19N5/c1-15(19-8-3-4-13-25-19)9-10-17-6-5-7-18(14-17)20-11-12-21-22(28-20)23(24)27-16(2)26-21/h3-8,11-15H,1-2H3,(H2,24,26,27)/t15-/m0/s1.
What are the key properties of 2-methyl-6-[3-[(3S)-3-pyridin-2-ylbut-1-ynyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
2-methyl-6-[3-[(3S)-3-pyridin-2-ylbut-1-ynyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 365.44 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-[(3S)-3-pyridin-2-ylbut-1-ynyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 155363993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).