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

C25H28N4OS — CID 42788657

IUPAC1-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylsulfanylethanone
SMILESCC(C)N(C)c1nc(-c2ccccc2)nc2c1CN(C(=O)CSc1ccccc1)CC2
InChIInChI=1S/C25H28N4OS/c1-18(2)28(3)25-21-16-29(23(30)17-31-20-12-8-5-9-13-20)15-14-22(21)26-24(27-25)19-10-6-4-7-11-19/h4-13,18H,14-17H2,1-3H3
InChIKeyIUNZEAHHELJLQV-UHFFFAOYSA-N
MW432.59 g/mol
LogP4.67
Rot. Bonds6

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

1-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylsulfanylethanone (PubChem CID 42788657) has the molecular formula C25H28N4OS and a molecular weight of 432.59 g/mol. Its IUPAC name is 1-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylsulfanylethanone
PubChem CID42788657
Molecular FormulaC25H28N4OS
Molecular Weight432.59 g/mol
Exact Mass432.20
IUPAC Name1-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylsulfanylethanone
SMILESCC(C)N(C)c1nc(-c2ccccc2)nc2c1CN(C(=O)CSc1ccccc1)CC2
InChIInChI=1S/C25H28N4OS/c1-18(2)28(3)25-21-16-29(23(30)17-31-20-12-8-5-9-13-20)15-14-22(21)26-24(27-25)19-10-6-4-7-11-19/h4-13,18H,14-17H2,1-3H3
InChIKeyIUNZEAHHELJLQV-UHFFFAOYSA-N
XLogP4.67
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-naphthalen-2-ylmethanone
CID 42788651
(4-methoxyphenyl)-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7271727
(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
1-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methoxyphenyl)ethanone
CID 7361156
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
1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-methylpentan-1-one
CID 56865520
(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
4-(dimethylamino)-N-(2-ethylphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7356758
N-(2,3-dimethylphenyl)-4-[methyl(propyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7351087
[2-(4-methylpiperidin-1-yl)-4-[methyl(propan-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone
CID 42855508

Frequently Asked Questions

What is the IUPAC name of 1-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylsulfanylethanone?
The IUPAC name of 1-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylsulfanylethanone (CID 42788657) is 1-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylsulfanylethanone.
What is the SMILES notation for 1-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylsulfanylethanone?
The canonical SMILES for 1-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylsulfanylethanone is CC(C)N(C)c1nc(-c2ccccc2)nc2c1CN(C(=O)CSc1ccccc1)CC2.
What is the InChIKey of 1-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylsulfanylethanone?
The InChIKey is IUNZEAHHELJLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4OS/c1-18(2)28(3)25-21-16-29(23(30)17-31-20-12-8-5-9-13-20)15-14-22(21)26-24(27-25)19-10-6-4-7-11-19/h4-13,18H,14-17H2,1-3H3.
What are the key properties of 1-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylsulfanylethanone?
1-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylsulfanylethanone has a molecular weight of 432.59 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylsulfanylethanone is sourced from PubChem (CID 42788657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).