7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C14H21N3O — CID 154569635

IUPAC7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1(C)CCC(N2CCc3c(nc[nH]c3=O)C2)C1
InChIInChI=1S/C14H21N3O/c1-14(2)5-3-10(7-14)17-6-4-11-12(8-17)15-9-16-13(11)18/h9-10H,3-8H2,1-2H3,(H,15,16,18)
InChIKeySXNBOQZICVKJKI-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.71
Rot. Bonds1

About 7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 154569635) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID154569635
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1(C)CCC(N2CCc3c(nc[nH]c3=O)C2)C1
InChIInChI=1S/C14H21N3O/c1-14(2)5-3-10(7-14)17-6-4-11-12(8-17)15-9-16-13(11)18/h9-10H,3-8H2,1-2H3,(H,15,16,18)
InChIKeySXNBOQZICVKJKI-UHFFFAOYSA-N
XLogP1.71
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 146043801
5-(3,3-dimethylcyclopentyl)-2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 154564434
6-(2-oxooxolan-3-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137274295
7-(bicyclo[1.1.0]butane-1-carbonyl)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 167980645
7-(4,5-dimethylpyridazin-3-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 146044898
1-(3,3-dimethylcyclopentyl)-3,6-dihydro-2H-pyridine
CID 130638381
6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136693506
7,9,9-trimethyl-5,6,7,8-tetrahydro-3H-cyclohepta[d]pyrimidin-4-one
CID 142252977
7-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 155495679
7-[2-(4-fluorophenyl)ethylsulfonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 167942422
7-[4-(azepan-1-yl)phthalazin-1-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 155955238
5-amino-4-[(3,3-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 137016581

Frequently Asked Questions

What is the IUPAC name of 7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 154569635) is 7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC1(C)CCC(N2CCc3c(nc[nH]c3=O)C2)C1.
What is the InChIKey of 7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is SXNBOQZICVKJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2)5-3-10(7-14)17-6-4-11-12(8-17)15-9-16-13(11)18/h9-10H,3-8H2,1-2H3,(H,15,16,18).
What are the key properties of 7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 247.34 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 154569635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).