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'}

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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).