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

C19H26N6O2 — CID 56867450

IUPAC4-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
SMILESCc1nc2c(c(N(C)C)n1)CCN(C(=O)c1cc(CC(C)C)[nH]c(=O)n1)C2
InChIInChI=1S/C19H26N6O2/c1-11(2)8-13-9-15(23-19(27)22-13)18(26)25-7-6-14-16(10-25)20-12(3)21-17(14)24(4)5/h9,11H,6-8,10H2,1-5H3,(H,22,23,27)
InChIKeyWMSVXKNRQWINJZ-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.33
Rot. Bonds4

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

4-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one (PubChem CID 56867450) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
PubChem CID56867450
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name4-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
SMILESCc1nc2c(c(N(C)C)n1)CCN(C(=O)c1cc(CC(C)C)[nH]c(=O)n1)C2
InChIInChI=1S/C19H26N6O2/c1-11(2)8-13-9-15(23-19(27)22-13)18(26)25-7-6-14-16(10-25)20-12(3)21-17(14)24(4)5/h9,11H,6-8,10H2,1-5H3,(H,22,23,27)
InChIKeyWMSVXKNRQWINJZ-UHFFFAOYSA-N
XLogP1.33
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 71696040
1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 89752420
[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclobutylmethanone
CID 89752448
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 89752453
6-({[2-(Dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-YL]amino}methyl)pyrimidin-4-OL
CID 135990264
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one
CID 71696042
N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]propanamide
CID 46974097
N-[2-[2-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethyl]cyclobutanecarboxamide
CID 46974099
1-[4-[6-(2-Aminoethyl)-2-cyclopropylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 46974238
N-{1-[2-(Dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-YL]piperidin-4-YL}acetamide
CID 50961015
N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 56707526
1-[3-[[2-(Dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one
CID 56742152

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one (CID 56867450) is 4-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one is Cc1nc2c(c(N(C)C)n1)CCN(C(=O)c1cc(CC(C)C)[nH]c(=O)n1)C2.
What is the InChIKey of 4-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one?
The InChIKey is WMSVXKNRQWINJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-11(2)8-13-9-15(23-19(27)22-13)18(26)25-7-6-14-16(10-25)20-12(3)21-17(14)24(4)5/h9,11H,6-8,10H2,1-5H3,(H,22,23,27).
What are the key properties of 4-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one?
4-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one has a molecular weight of 370.46 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 56867450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).