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

C25H28N4O — CID 7271303

IUPAC1-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-diphenylethanone
SMILESCCN(C)c1nc(C)nc2c1CN(C(=O)C(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C25H28N4O/c1-4-28(3)24-21-17-29(16-15-22(21)26-18(2)27-24)25(30)23(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,23H,4,15-17H2,1-3H3
InChIKeyWXUZWMLTQZKHMV-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.96
Rot. Bonds5

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

1-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-diphenylethanone (PubChem CID 7271303) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-diphenylethanone
PubChem CID7271303
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name1-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-diphenylethanone
SMILESCCN(C)c1nc(C)nc2c1CN(C(=O)C(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C25H28N4O/c1-4-28(3)24-21-17-29(16-15-22(21)26-18(2)27-24)25(30)23(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,23H,4,15-17H2,1-3H3
InChIKeyWXUZWMLTQZKHMV-UHFFFAOYSA-N
XLogP3.96
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one
CID 7413029
N-[2,6-di(propan-2-yl)phenyl]-4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7373755
(3,4-dichlorophenyl)-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7412301
4-[ethyl(methyl)amino]-N-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7415075
4-[ethyl(methyl)amino]-N-(4-ethylphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7328435
N-(2,4-dimethylphenyl)-4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7301452
4-[ethyl(methyl)amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7288527
[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-phenylphenyl)methanone
CID 7271526
N-benzyl-4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7288433
(2R)-1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-ethylhexan-1-one
CID 7256747
(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
(3,4-dichlorophenyl)-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42788619

Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-diphenylethanone (CID 7271303) is 1-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-diphenylethanone is CCN(C)c1nc(C)nc2c1CN(C(=O)C(c1ccccc1)c1ccccc1)CC2.
What is the InChIKey of 1-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-diphenylethanone?
The InChIKey is WXUZWMLTQZKHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-4-28(3)24-21-17-29(16-15-22(21)26-18(2)27-24)25(30)23(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,23H,4,15-17H2,1-3H3.
What are the key properties of 1-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-diphenylethanone?
1-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-diphenylethanone has a molecular weight of 400.53 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-diphenylethanone is sourced from PubChem (CID 7271303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).