(3R)-1-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,5,5-trimethylhexan-1-one

C25H36N4O — CID 7231693

IUPAC(3R)-1-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,5,5-trimethylhexan-1-one
SMILESCCN(C)c1nc(-c2ccccc2)nc2c1CN(C(=O)C[C@H](C)CC(C)(C)C)CC2
InChIInChI=1S/C25H36N4O/c1-7-28(6)24-20-17-29(22(30)15-18(2)16-25(3,4)5)14-13-21(20)26-23(27-24)19-11-9-8-10-12-19/h8-12,18H,7,13-17H2,1-6H3/t18-/m0/s1
InChIKeyYILCEJCPZWMMFO-SFHVURJKSA-N
MW408.59 g/mol
LogP4.95
Rot. Bonds6

About (3R)-1-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,5,5-trimethylhexan-1-one

(3R)-1-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,5,5-trimethylhexan-1-one (PubChem CID 7231693) has the molecular formula C25H36N4O and a molecular weight of 408.59 g/mol. Its IUPAC name is (3R)-1-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,5,5-trimethylhexan-1-one.

Molecular Properties

Compound Name(3R)-1-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,5,5-trimethylhexan-1-one
PubChem CID7231693
Molecular FormulaC25H36N4O
Molecular Weight408.59 g/mol
Exact Mass408.29
IUPAC Name(3R)-1-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,5,5-trimethylhexan-1-one
SMILESCCN(C)c1nc(-c2ccccc2)nc2c1CN(C(=O)C[C@H](C)CC(C)(C)C)CC2
InChIInChI=1S/C25H36N4O/c1-7-28(6)24-20-17-29(22(30)15-18(2)16-25(3,4)5)14-13-21(20)26-23(27-24)19-11-9-8-10-12-19/h8-12,18H,7,13-17H2,1-6H3/t18-/m0/s1
InChIKeyYILCEJCPZWMMFO-SFHVURJKSA-N
XLogP4.95
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,5,5-trimethylhexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
CID 7481870
1-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methoxyphenyl)ethanone
CID 7361156
[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 42666244
(3,4-dichlorophenyl)-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42788619
1-[4-[benzyl(methyl)amino]-2-(4-bromophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-one
CID 155541355
N-cyclohexyl-4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7271673
N-(2,3-dimethylphenyl)-4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7218489
1-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylsulfanylethanone
CID 42788657
4-[ethyl(methyl)amino]-N-(3-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7327023
(4-methylphenyl)-[4-[methyl(propyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7350346
2-(4-chlorophenoxy)-1-[4-[methyl(propyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 42787821
1-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-diphenylethanone
CID 7271303

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,5,5-trimethylhexan-1-one?
The IUPAC name of (3R)-1-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,5,5-trimethylhexan-1-one (CID 7231693) is (3R)-1-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,5,5-trimethylhexan-1-one.
What is the SMILES notation for (3R)-1-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,5,5-trimethylhexan-1-one?
The canonical SMILES for (3R)-1-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,5,5-trimethylhexan-1-one is CCN(C)c1nc(-c2ccccc2)nc2c1CN(C(=O)C[C@H](C)CC(C)(C)C)CC2.
What is the InChIKey of (3R)-1-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,5,5-trimethylhexan-1-one?
The InChIKey is YILCEJCPZWMMFO-SFHVURJKSA-N. The full InChI is InChI=1S/C25H36N4O/c1-7-28(6)24-20-17-29(22(30)15-18(2)16-25(3,4)5)14-13-21(20)26-23(27-24)19-11-9-8-10-12-19/h8-12,18H,7,13-17H2,1-6H3/t18-/m0/s1.
What are the key properties of (3R)-1-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,5,5-trimethylhexan-1-one?
(3R)-1-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,5,5-trimethylhexan-1-one has a molecular weight of 408.59 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,5,5-trimethylhexan-1-one is sourced from PubChem (CID 7231693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).