1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-methylpentan-1-one

C21H28N4O — CID 56865520

IUPAC1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCc2c(nc(-c3ccccc3)nc2N(C)C)C1
InChIInChI=1S/C21H28N4O/c1-15(2)10-11-19(26)25-13-12-17-18(14-25)22-20(23-21(17)24(3)4)16-8-6-5-7-9-16/h5-9,15H,10-14H2,1-4H3
InChIKeyGDKQSHCKLSXHKR-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.53
Rot. Bonds5

About 1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-methylpentan-1-one

1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-methylpentan-1-one (PubChem CID 56865520) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-methylpentan-1-one
PubChem CID56865520
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCc2c(nc(-c3ccccc3)nc2N(C)C)C1
InChIInChI=1S/C21H28N4O/c1-15(2)10-11-19(26)25-13-12-17-18(14-25)22-20(23-21(17)24(3)4)16-8-6-5-7-9-16/h5-9,15H,10-14H2,1-4H3
InChIKeyGDKQSHCKLSXHKR-UHFFFAOYSA-N
XLogP3.53
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one
CID 56862725
(2S)-1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one
CID 95403118
cyclobutyl-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56905451
4-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutanamide
CID 56917154
1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxyethanone
CID 56895395
1-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one
CID 56875975
1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methylpropan-1-one
CID 56899554
(2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-phenylethanone
CID 56882203
1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxypropan-1-one
CID 56862620
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-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R)-oxolan-3-yl]methanone
CID 95723300
1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propylsulfanylethanone
CID 56865271

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-methylpentan-1-one?
The IUPAC name of 1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-methylpentan-1-one (CID 56865520) is 1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-methylpentan-1-one.
What is the SMILES notation for 1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-methylpentan-1-one?
The canonical SMILES for 1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-methylpentan-1-one is CC(C)CCC(=O)N1CCc2c(nc(-c3ccccc3)nc2N(C)C)C1.
What is the InChIKey of 1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-methylpentan-1-one?
The InChIKey is GDKQSHCKLSXHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15(2)10-11-19(26)25-13-12-17-18(14-25)22-20(23-21(17)24(3)4)16-8-6-5-7-9-16/h5-9,15H,10-14H2,1-4H3.
What are the key properties of 1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-methylpentan-1-one?
1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-methylpentan-1-one has a molecular weight of 352.48 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-methylpentan-1-one is sourced from PubChem (CID 56865520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).