5-[(4-aminocyclohexyl)amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

C24H30N6O2 — CID 66959850

IUPAC5-[(4-aminocyclohexyl)amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NC3CCC(N)CC3)c2c1=O
InChIInChI=1S/C24H30N6O2/c1-29-15-26-21-14-20(16-2-8-19(9-3-16)30-10-12-32-13-11-30)28-23(22(21)24(29)31)27-18-6-4-17(25)5-7-18/h2-3,8-9,14-15,17-18H,4-7,10-13,25H2,1H3,(H,27,28)
InChIKeyYCOSUWVNAFCVNY-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.51
Rot. Bonds4

About 5-[(4-aminocyclohexyl)amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

5-[(4-aminocyclohexyl)amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959850) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 5-[(4-aminocyclohexyl)amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(4-aminocyclohexyl)amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959850
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name5-[(4-aminocyclohexyl)amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NC3CCC(N)CC3)c2c1=O
InChIInChI=1S/C24H30N6O2/c1-29-15-26-21-14-20(16-2-8-19(9-3-16)30-10-12-32-13-11-30)28-23(22(21)24(29)31)27-18-6-4-17(25)5-7-18/h2-3,8-9,14-15,17-18H,4-7,10-13,25H2,1H3,(H,27,28)
InChIKeyYCOSUWVNAFCVNY-UHFFFAOYSA-N
XLogP2.51
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminocyclohexyl)amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-[(4-aminocyclohexyl)amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (CID 66959850) is 5-[(4-aminocyclohexyl)amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(4-aminocyclohexyl)amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[(4-aminocyclohexyl)amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NC3CCC(N)CC3)c2c1=O.
What is the InChIKey of 5-[(4-aminocyclohexyl)amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is YCOSUWVNAFCVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-29-15-26-21-14-20(16-2-8-19(9-3-16)30-10-12-32-13-11-30)28-23(22(21)24(29)31)27-18-6-4-17(25)5-7-18/h2-3,8-9,14-15,17-18H,4-7,10-13,25H2,1H3,(H,27,28).
What are the key properties of 5-[(4-aminocyclohexyl)amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
5-[(4-aminocyclohexyl)amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 434.54 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminocyclohexyl)amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).