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

C17H22N6O2 — CID 56891441

IUPAC5-[2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc2c(c(N(C)C)n1)CCN(C(=O)Cc1cnc(C)[nH]c1=O)C2
InChIInChI=1S/C17H22N6O2/c1-10-18-8-12(17(25)21-10)7-15(24)23-6-5-13-14(9-23)19-11(2)20-16(13)22(3)4/h8H,5-7,9H2,1-4H3,(H,18,21,25)
InChIKeyZEQCKNTVCKOKRO-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.37
Rot. Bonds3

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

5-[2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 56891441) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID56891441
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name5-[2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc2c(c(N(C)C)n1)CCN(C(=O)Cc1cnc(C)[nH]c1=O)C2
InChIInChI=1S/C17H22N6O2/c1-10-18-8-12(17(25)21-10)7-15(24)23-6-5-13-14(9-23)19-11(2)20-16(13)22(3)4/h8H,5-7,9H2,1-4H3,(H,18,21,25)
InChIKeyZEQCKNTVCKOKRO-UHFFFAOYSA-N
XLogP0.37
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-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-[3-[[2-(Dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one
CID 56742152
1-[7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide
CID 56862674
1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(diethylamino)propan-1-one
CID 56870569
N-{1-[7-acetyl-2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl}acetamide
CID 56871379
7-{[2-(ethylamino)-5-pyrimidinyl]carbonyl}-N,N,2-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56886518
N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide
CID 92625511
N-[2-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 110262141
1-[2-[7-(cyclopropylmethyl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110265912
6-[(2-methyl-4-pyrrolidin-1-yl-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl)carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 56866195
6-methyl-3-{[2-methyl-4-(1-pyrrolidinyl)-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl]carbonyl}-2(1H)-pyridinone
CID 56885867
N-{2-[2-methyl-4-(1-pyrrolidinyl)-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl]-2-oxoethyl}urea
CID 56896106

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one (CID 56891441) is 5-[2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one is Cc1nc2c(c(N(C)C)n1)CCN(C(=O)Cc1cnc(C)[nH]c1=O)C2.
What is the InChIKey of 5-[2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ZEQCKNTVCKOKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-10-18-8-12(17(25)21-10)7-15(24)23-6-5-13-14(9-23)19-11(2)20-16(13)22(3)4/h8H,5-7,9H2,1-4H3,(H,18,21,25).
What are the key properties of 5-[2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
5-[2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 342.40 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 56891441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).