5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-[(4-methyl-2-pyridinyl)amino]pyrido[4,3-d]pyrimidin-4-one

C20H24N6O2 — CID 66959468

IUPAC5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-[(4-methyl-2-pyridinyl)amino]pyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccnc(Nc2cc3ncn(C)c(=O)c3c(NC3CCC(O)CC3)n2)c1
InChIInChI=1S/C20H24N6O2/c1-12-7-8-21-16(9-12)24-17-10-15-18(20(28)26(2)11-22-15)19(25-17)23-13-3-5-14(27)6-4-13/h7-11,13-14,27H,3-6H2,1-2H3,(H2,21,23,24,25)
InChIKeyQZDUDLNQUCZROA-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.49
Rot. Bonds4

About 5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-[(4-methyl-2-pyridinyl)amino]pyrido[4,3-d]pyrimidin-4-one

5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-[(4-methyl-2-pyridinyl)amino]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959468) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-[(4-methyl-2-pyridinyl)amino]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-[(4-methyl-2-pyridinyl)amino]pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959468
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-[(4-methyl-2-pyridinyl)amino]pyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccnc(Nc2cc3ncn(C)c(=O)c3c(NC3CCC(O)CC3)n2)c1
InChIInChI=1S/C20H24N6O2/c1-12-7-8-21-16(9-12)24-17-10-15-18(20(28)26(2)11-22-15)19(25-17)23-13-3-5-14(27)6-4-13/h7-11,13-14,27H,3-6H2,1-2H3,(H2,21,23,24,25)
InChIKeyQZDUDLNQUCZROA-UHFFFAOYSA-N
XLogP2.49
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-[(4-methyl-2-pyridinyl)amino]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-[(4-methyl-2-pyridinyl)amino]pyrido[4,3-d]pyrimidin-4-one (CID 66959468) is 5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-[(4-methyl-2-pyridinyl)amino]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-[(4-methyl-2-pyridinyl)amino]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-[(4-methyl-2-pyridinyl)amino]pyrido[4,3-d]pyrimidin-4-one is Cc1ccnc(Nc2cc3ncn(C)c(=O)c3c(NC3CCC(O)CC3)n2)c1.
What is the InChIKey of 5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-[(4-methyl-2-pyridinyl)amino]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is QZDUDLNQUCZROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-12-7-8-21-16(9-12)24-17-10-15-18(20(28)26(2)11-22-15)19(25-17)23-13-3-5-14(27)6-4-13/h7-11,13-14,27H,3-6H2,1-2H3,(H2,21,23,24,25).
What are the key properties of 5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-[(4-methyl-2-pyridinyl)amino]pyrido[4,3-d]pyrimidin-4-one?
5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-[(4-methyl-2-pyridinyl)amino]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 380.45 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxycyclohexyl)amino]-3-methyl-7-[(4-methyl-2-pyridinyl)amino]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).