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

C18H24N6O2 — CID 56870615

IUPAC5-[3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N1CCc2c(ncnc2N(C)C)C1
InChIInChI=1S/C18H24N6O2/c1-11-13(12(2)22-18(26)21-11)5-6-16(25)24-8-7-14-15(9-24)19-10-20-17(14)23(3)4/h10H,5-9H2,1-4H3,(H,21,22,26)
InChIKeyPVPQHRDRLZXTQT-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.76
Rot. Bonds4

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

5-[3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one (PubChem CID 56870615) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-[3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one
PubChem CID56870615
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name5-[3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N1CCc2c(ncnc2N(C)C)C1
InChIInChI=1S/C18H24N6O2/c1-11-13(12(2)22-18(26)21-11)5-6-16(25)24-8-7-14-15(9-24)19-10-20-17(14)23(3)4/h10H,5-9H2,1-4H3,(H,21,22,26)
InChIKeyPVPQHRDRLZXTQT-UHFFFAOYSA-N
XLogP0.76
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-4,6-dimethyl-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
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one
CID 71696042
N-{1-[2-(Dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-YL]piperidin-4-YL}acetamide
CID 50961015
N-{1-[2-(Dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-YL]piperidin-4-YL}acetamide
CID 50961015
8-[2-(1-cyclohexenyl)ethyl]-4-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 53193739
8-[2-(1-cyclohexenyl)ethyl]-4-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 53193739
2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 53566837
2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 53566837
1-[7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-N,N-diethylpyrrolidin-3-amine
CID 56861697

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The IUPAC name of 5-[3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one (CID 56870615) is 5-[3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-[3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one is Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCc2c(ncnc2N(C)C)C1.
What is the InChIKey of 5-[3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The InChIKey is PVPQHRDRLZXTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-11-13(12(2)22-18(26)21-11)5-6-16(25)24-8-7-14-15(9-24)19-10-20-17(14)23(3)4/h10H,5-9H2,1-4H3,(H,21,22,26).
What are the key properties of 5-[3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one?
5-[3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one has a molecular weight of 356.43 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one is sourced from PubChem (CID 56870615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).