2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C12H16N6 — CID 129011551

IUPAC2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc2c(c(Nc3cc(C)[nH]n3)n1)CCNC2
InChIInChI=1S/C12H16N6/c1-7-5-11(18-17-7)16-12-9-3-4-13-6-10(9)14-8(2)15-12/h5,13H,3-4,6H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyVFWQTKRNCNIHIN-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.21
Rot. Bonds2

About 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 129011551) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID129011551
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc2c(c(Nc3cc(C)[nH]n3)n1)CCNC2
InChIInChI=1S/C12H16N6/c1-7-5-11(18-17-7)16-12-9-3-4-13-6-10(9)14-8(2)15-12/h5,13H,3-4,6H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyVFWQTKRNCNIHIN-UHFFFAOYSA-N
XLogP1.21
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydropyrido[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-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 129011551) is 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is Cc1nc2c(c(Nc3cc(C)[nH]n3)n1)CCNC2.
What is the InChIKey of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is VFWQTKRNCNIHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-7-5-11(18-17-7)16-12-9-3-4-13-6-10(9)14-8(2)15-12/h5,13H,3-4,6H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 129011551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).