6-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyrimidine-2,4-dione

C17H20N6O3 — CID 56866195

IUPAC6-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C2
InChIInChI=1S/C17H20N6O3/c1-10-18-13-9-23(16(25)12-8-14(24)21-17(26)20-12)7-4-11(13)15(19-10)22-5-2-3-6-22/h8H,2-7,9H2,1H3,(H2,20,21,24,26)
InChIKeyKVIUXCQNWJOHTE-UHFFFAOYSA-N
MW356.39 g/mol
LogP-0.04
Rot. Bonds2

About 6-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyrimidine-2,4-dione

6-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 56866195) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is 6-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID56866195
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Name6-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C2
InChIInChI=1S/C17H20N6O3/c1-10-18-13-9-23(16(25)12-8-14(24)21-17(26)20-12)7-4-11(13)15(19-10)22-5-2-3-6-22/h8H,2-7,9H2,1H3,(H2,20,21,24,26)
InChIKeyKVIUXCQNWJOHTE-UHFFFAOYSA-N
XLogP-0.04
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyrimidine-2,4-dione 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
N-{1-[7-acetyl-2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl}acetamide
CID 56871379
N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide
CID 92625273
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
2-Methyl-7-[morpholin-4-yl(oxo)acetyl]-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56872115
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
N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide;hydrochloride
CID 118741781
2,2,2-trifluoro-1-[4-(methylamino)-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 175662587

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyrimidine-2,4-dione (CID 56866195) is 6-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyrimidine-2,4-dione is Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C2.
What is the InChIKey of 6-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is KVIUXCQNWJOHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-10-18-13-9-23(16(25)12-8-14(24)21-17(26)20-12)7-4-11(13)15(19-10)22-5-2-3-6-22/h8H,2-7,9H2,1H3,(H2,20,21,24,26).
What are the key properties of 6-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyrimidine-2,4-dione?
6-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 356.39 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56866195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).