7-(2-methylpyrido[3,4-d]pyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C14H14N6O2 — CID 155798587

IUPAC7-(2-methylpyrido[3,4-d]pyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCc1nc(N2CCC3(C2)NC(=O)NC3=O)c2ccncc2n1
InChIInChI=1S/C14H14N6O2/c1-8-16-10-6-15-4-2-9(10)11(17-8)20-5-3-14(7-20)12(21)18-13(22)19-14/h2,4,6H,3,5,7H2,1H3,(H2,18,19,21,22)
InChIKeyKLJBSYWIKQUAHK-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.12
Rot. Bonds1

About 7-(2-methylpyrido[3,4-d]pyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-(2-methylpyrido[3,4-d]pyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 155798587) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 7-(2-methylpyrido[3,4-d]pyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-(2-methylpyrido[3,4-d]pyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID155798587
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name7-(2-methylpyrido[3,4-d]pyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCc1nc(N2CCC3(C2)NC(=O)NC3=O)c2ccncc2n1
InChIInChI=1S/C14H14N6O2/c1-8-16-10-6-15-4-2-9(10)11(17-8)20-5-3-14(7-20)12(21)18-13(22)19-14/h2,4,6H,3,5,7H2,1H3,(H2,18,19,21,22)
InChIKeyKLJBSYWIKQUAHK-UHFFFAOYSA-N
XLogP0.12
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 7-(2-methylpyrido[3,4-d]pyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione with MolForge

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Related Compounds

7-(5,6-dimethylpyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 155798235
3-cyclopropyl-1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
CID 154853548
8-(4,6-dimethylpyrimidin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 154829225
4-[4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 155981287
9-isoquinolin-5-ylsulfonyl-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 167980397
2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913536
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 165433565
6-tert-butyl-2-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126928071
2-methyl-4-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 155976620
2-methyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 154853620
2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
CID 163356963
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 163356545

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpyrido[3,4-d]pyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-(2-methylpyrido[3,4-d]pyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 155798587) is 7-(2-methylpyrido[3,4-d]pyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-(2-methylpyrido[3,4-d]pyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-(2-methylpyrido[3,4-d]pyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is Cc1nc(N2CCC3(C2)NC(=O)NC3=O)c2ccncc2n1.
What is the InChIKey of 7-(2-methylpyrido[3,4-d]pyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is KLJBSYWIKQUAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-8-16-10-6-15-4-2-9(10)11(17-8)20-5-3-14(7-20)12(21)18-13(22)19-14/h2,4,6H,3,5,7H2,1H3,(H2,18,19,21,22).
What are the key properties of 7-(2-methylpyrido[3,4-d]pyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-(2-methylpyrido[3,4-d]pyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 298.31 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpyrido[3,4-d]pyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 155798587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).