4-(2-cyclopentylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one

C14H23N3O — CID 136974195

IUPAC4-(2-cyclopentylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCC2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O/c1-10(2)14-16-12(9-13(18)17-14)15-8-7-11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyDMJQQPLNGRPGFD-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.89
Rot. Bonds5

About 4-(2-cyclopentylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one

4-(2-cyclopentylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136974195) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-(2-cyclopentylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-cyclopentylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136974195
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-(2-cyclopentylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCC2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O/c1-10(2)14-16-12(9-13(18)17-14)15-8-7-11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyDMJQQPLNGRPGFD-UHFFFAOYSA-N
XLogP2.89
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-cyclopentylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136974195) is 4-(2-cyclopentylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-cyclopentylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-cyclopentylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCCC2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-(2-cyclopentylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is DMJQQPLNGRPGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)14-16-12(9-13(18)17-14)15-8-7-11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-(2-cyclopentylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(2-cyclopentylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 249.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136974195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).