4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide

C20H33N5O2 — CID 166985928

IUPAC4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide
SMILESCCN(CC)c1nc2c(c(=O)n1C1CCC(C(=O)NC)CC1)C[C@@H](C)NC2
InChIInChI=1S/C20H33N5O2/c1-5-24(6-2)20-23-17-12-22-13(3)11-16(17)19(27)25(20)15-9-7-14(8-10-15)18(26)21-4/h13-15,22H,5-12H2,1-4H3,(H,21,26)/t13-,14?,15?/m1/s1
InChIKeyMWIARUBMODEXEL-WLYUNCDWSA-N
MW375.52 g/mol
LogP1.60
Rot. Bonds5

About 4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide

4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide (PubChem CID 166985928) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide
PubChem CID166985928
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide
SMILESCCN(CC)c1nc2c(c(=O)n1C1CCC(C(=O)NC)CC1)C[C@@H](C)NC2
InChIInChI=1S/C20H33N5O2/c1-5-24(6-2)20-23-17-12-22-13(3)11-16(17)19(27)25(20)15-9-7-14(8-10-15)18(26)21-4/h13-15,22H,5-12H2,1-4H3,(H,21,26)/t13-,14?,15?/m1/s1
InChIKeyMWIARUBMODEXEL-WLYUNCDWSA-N
XLogP1.60
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide with MolForge

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Related Compounds

2-[(2-amino-4-methylpentyl)amino]-5-(4-fluorocyclohexyl)-4-piperidin-4-yl-1H-pyrimidin-6-one
CID 140434753
2-(2-aminohexylamino)-5-(4-fluorocyclohexyl)-4-piperidin-4-yl-1H-pyrimidin-6-one
CID 140434768
7-(Cyclohexanecarbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707029
2-Amino-n,n-diethyl-4-oxo-1,4,5,6,7,8-hexahydroquinazoline-6-carboxamide
CID 135408809
N-cyclohexyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide
CID 136761465
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136402814
2-Amino-7-[3-methyl-2-(4-methylcyclohexyl)butanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 141676985
N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]cyclohexane-1-carboxamide
CID 166985828
N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide
CID 166985947
tert-butyl (6R)-6-methyl-3-[4-(methylcarbamoyl)cyclohexyl]-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 166985949
N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]cyclohexane-1-carboxamide;hydrochloride
CID 175734170
4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 175734221

Frequently Asked Questions

What is the IUPAC name of 4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide (CID 166985928) is 4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide is CCN(CC)c1nc2c(c(=O)n1C1CCC(C(=O)NC)CC1)C[C@@H](C)NC2.
What is the InChIKey of 4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is MWIARUBMODEXEL-WLYUNCDWSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-5-24(6-2)20-23-17-12-22-13(3)11-16(17)19(27)25(20)15-9-7-14(8-10-15)18(26)21-4/h13-15,22H,5-12H2,1-4H3,(H,21,26)/t13-,14?,15?/m1/s1.
What are the key properties of 4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide?
4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6R)-2-(diethylamino)-6-methyl-4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 166985928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).