2-methyl-2-pyridin-4-yl-1H-pyrido[3,4-d]pyrimidin-4-amine

C13H13N5 — CID 135368389

IUPAC2-methyl-2-pyridin-4-yl-1H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCC1(c2ccncc2)N=C(N)c2ccncc2N1
InChIInChI=1S/C13H13N5/c1-13(9-2-5-15-6-3-9)17-11-8-16-7-4-10(11)12(14)18-13/h2-8,17H,1H3,(H2,14,18)
InChIKeyHRMIQPBCCJANNO-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.48
Rot. Bonds1

About 2-methyl-2-pyridin-4-yl-1H-pyrido[3,4-d]pyrimidin-4-amine

2-methyl-2-pyridin-4-yl-1H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 135368389) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-methyl-2-pyridin-4-yl-1H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-2-pyridin-4-yl-1H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID135368389
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name2-methyl-2-pyridin-4-yl-1H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCC1(c2ccncc2)N=C(N)c2ccncc2N1
InChIInChI=1S/C13H13N5/c1-13(9-2-5-15-6-3-9)17-11-8-16-7-4-10(11)12(14)18-13/h2-8,17H,1H3,(H2,14,18)
InChIKeyHRMIQPBCCJANNO-UHFFFAOYSA-N
XLogP1.48
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-pyridin-4-yl-1H-pyrido[3,4-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pyridin-4-yl-1H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-2-pyridin-4-yl-1H-pyrido[3,4-d]pyrimidin-4-amine (CID 135368389) is 2-methyl-2-pyridin-4-yl-1H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-2-pyridin-4-yl-1H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-2-pyridin-4-yl-1H-pyrido[3,4-d]pyrimidin-4-amine is CC1(c2ccncc2)N=C(N)c2ccncc2N1.
What is the InChIKey of 2-methyl-2-pyridin-4-yl-1H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is HRMIQPBCCJANNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-13(9-2-5-15-6-3-9)17-11-8-16-7-4-10(11)12(14)18-13/h2-8,17H,1H3,(H2,14,18).
What are the key properties of 2-methyl-2-pyridin-4-yl-1H-pyrido[3,4-d]pyrimidin-4-amine?
2-methyl-2-pyridin-4-yl-1H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 239.28 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pyridin-4-yl-1H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 135368389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).