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

C22H30N4O — CID 7481870

IUPAC3-methyl-1-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCc2nc(-c3ccccc3)nc(N(C)C(C)C)c2C1
InChIInChI=1S/C22H30N4O/c1-15(2)13-20(27)26-12-11-19-18(14-26)22(25(5)16(3)4)24-21(23-19)17-9-7-6-8-10-17/h6-10,15-16H,11-14H2,1-5H3
InChIKeyTZEVSCOHTJOKBI-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.92
Rot. Bonds5

About 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

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 (PubChem CID 7481870) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-methyl-1-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
PubChem CID7481870
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name3-methyl-1-[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCc2nc(-c3ccccc3)nc(N(C)C(C)C)c2C1
InChIInChI=1S/C22H30N4O/c1-15(2)13-20(27)26-12-11-19-18(14-26)22(25(5)16(3)4)24-21(23-19)17-9-7-6-8-10-17/h6-10,15-16H,11-14H2,1-5H3
InChIKeyTZEVSCOHTJOKBI-UHFFFAOYSA-N
XLogP3.92
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-naphthalen-2-ylmethanone
CID 42788651
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
(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-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-methylpentan-1-one
CID 56865520
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-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
(3,4-dichlorophenyl)-[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42788619
[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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CC(=O)N1CCc2nc(-c3ccccc3)nc(N(C)C(C)C)c2C1.
What is the InChIKey of 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?
The InChIKey is TZEVSCOHTJOKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-15(2)13-20(27)26-12-11-19-18(14-26)22(25(5)16(3)4)24-21(23-19)17-9-7-6-8-10-17/h6-10,15-16H,11-14H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 366.51 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 7481870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).