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

C19H20N6O — CID 66959399

IUPAC3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2ccc(-c3cc4ncn(C)c(=O)c4c(NC(C)C)n3)cc2[nH]1
InChIInChI=1S/C19H20N6O/c1-10(2)21-18-17-16(20-9-25(4)19(17)26)8-14(24-18)12-5-6-13-15(7-12)23-11(3)22-13/h5-10H,1-4H3,(H,21,24)(H,22,23)
InChIKeyKISFCULTTMRQPQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.00
Rot. Bonds3

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

3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959399) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959399
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2ccc(-c3cc4ncn(C)c(=O)c4c(NC(C)C)n3)cc2[nH]1
InChIInChI=1S/C19H20N6O/c1-10(2)21-18-17-16(20-9-25(4)19(17)26)8-14(24-18)12-5-6-13-15(7-12)23-11(3)22-13/h5-10H,1-4H3,(H,21,24)(H,22,23)
InChIKeyKISFCULTTMRQPQ-UHFFFAOYSA-N
XLogP3.00
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 66959399) is 3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is Cc1nc2ccc(-c3cc4ncn(C)c(=O)c4c(NC(C)C)n3)cc2[nH]1.
What is the InChIKey of 3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is KISFCULTTMRQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-10(2)21-18-17-16(20-9-25(4)19(17)26)8-14(24-18)12-5-6-13-15(7-12)23-11(3)22-13/h5-10H,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 348.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).