4-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one

C18H27N5O2 — CID 56876728

IUPAC4-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1CC(C(=O)N2CCc3c(ncnc3N(C)C)C2)CC1=O
InChIInChI=1S/C18H27N5O2/c1-12(2)8-23-9-13(7-16(23)24)18(25)22-6-5-14-15(10-22)19-11-20-17(14)21(3)4/h11-13H,5-10H2,1-4H3
InChIKeyAXHFTWKADPRWNW-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.93
Rot. Bonds4

About 4-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one

4-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 56876728) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID56876728
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name4-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1CC(C(=O)N2CCc3c(ncnc3N(C)C)C2)CC1=O
InChIInChI=1S/C18H27N5O2/c1-12(2)8-23-9-13(7-16(23)24)18(25)22-6-5-14-15(10-22)19-11-20-17(14)21(3)4/h11-13H,5-10H2,1-4H3
InChIKeyAXHFTWKADPRWNW-UHFFFAOYSA-N
XLogP0.93
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one with MolForge

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Related Compounds

1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 89752420
1-[7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-N,N-diethylpyrrolidin-3-amine
CID 56861697
7-(Cyclopropylcarbonyl)-4-(3-propoxypiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56861879
1-[7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide
CID 56862674
7-(Cyclopropylcarbonyl)-4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56868241
N,N-dimethyl-7-(piperidin-1-ylacetyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56870004
1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(diethylamino)propan-1-one
CID 56870569
7-(cyclopropylcarbonyl)-4-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56881261
1-[2-[7-(cyclopropylmethyl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110265912
1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 118740192
7-[(1S*,4R*)-2-azabicyclo[2.2.1]hept-2-ylacetyl]-N,N,N',N'-tetramethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 133119359
4-(4-{[1-(Cyclopropylcarbonyl)-4-piperidinyl]carbonyl}-1-piperazinyl)-5,6-dimethylpyrimidine
CID 72891133

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one (CID 56876728) is 4-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one is CC(C)CN1CC(C(=O)N2CCc3c(ncnc3N(C)C)C2)CC1=O.
What is the InChIKey of 4-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is AXHFTWKADPRWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-12(2)8-23-9-13(7-16(23)24)18(25)22-6-5-14-15(10-22)19-11-20-17(14)21(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 4-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
4-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 345.45 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 56876728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).