7-(6-methoxypyrazin-2-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

C16H18N6O2 — CID 66959274

IUPAC7-(6-methoxypyrazin-2-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cncc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)n1
InChIInChI=1S/C16H18N6O2/c1-9(2)19-15-14-11(18-8-22(3)16(14)23)5-10(21-15)12-6-17-7-13(20-12)24-4/h5-9H,1-4H3,(H,19,21)
InChIKeyPJLLTHZIKVMWJC-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.61
Rot. Bonds4

About 7-(6-methoxypyrazin-2-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

7-(6-methoxypyrazin-2-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959274) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 7-(6-methoxypyrazin-2-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(6-methoxypyrazin-2-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959274
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name7-(6-methoxypyrazin-2-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cncc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)n1
InChIInChI=1S/C16H18N6O2/c1-9(2)19-15-14-11(18-8-22(3)16(14)23)5-10(21-15)12-6-17-7-13(20-12)24-4/h5-9H,1-4H3,(H,19,21)
InChIKeyPJLLTHZIKVMWJC-UHFFFAOYSA-N
XLogP1.61
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(6-methoxypyrazin-2-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one 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 7-(6-methoxypyrazin-2-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-(6-methoxypyrazin-2-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 66959274) is 7-(6-methoxypyrazin-2-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(6-methoxypyrazin-2-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(6-methoxypyrazin-2-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is COc1cncc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)n1.
What is the InChIKey of 7-(6-methoxypyrazin-2-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is PJLLTHZIKVMWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-9(2)19-15-14-11(18-8-22(3)16(14)23)5-10(21-15)12-6-17-7-13(20-12)24-4/h5-9H,1-4H3,(H,19,21).
What are the key properties of 7-(6-methoxypyrazin-2-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
7-(6-methoxypyrazin-2-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 326.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxypyrazin-2-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).