4-(aminomethyl)-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one

C16H19N3O — CID 135978340

IUPAC4-(aminomethyl)-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
SMILESNCc1cc(=O)[nH]c(C2(c3ccccc3)CCCC2)n1
InChIInChI=1S/C16H19N3O/c17-11-13-10-14(20)19-15(18-13)16(8-4-5-9-16)12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11,17H2,(H,18,19,20)
InChIKeyVTIJIABSIUKOLG-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.09
Rot. Bonds3

About 4-(aminomethyl)-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one

4-(aminomethyl)-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one (PubChem CID 135978340) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
PubChem CID135978340
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-(aminomethyl)-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
SMILESNCc1cc(=O)[nH]c(C2(c3ccccc3)CCCC2)n1
InChIInChI=1S/C16H19N3O/c17-11-13-10-14(20)19-15(18-13)16(8-4-5-9-16)12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11,17H2,(H,18,19,20)
InChIKeyVTIJIABSIUKOLG-UHFFFAOYSA-N
XLogP2.09
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one
CID 135978222
4-cyclopropyl-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one
CID 135975537
4-hydroxy-5-iodo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
CID 66284571
[2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine
CID 63108823
5-ethyl-4-hydroxy-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
CID 63611596
2-(1-phenylcyclopentyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475499
5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
CID 66316774
[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63079286
1,1-diphenylcyclotetradecane
CID 175822005
5-(bromomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one
CID 114205547
6-(2-methylpropyl)-2-(1-phenylcyclopropyl)-1H-pyrimidine-4-thione
CID 106481422
N-methyl-1-[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methanamine
CID 63108633

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(aminomethyl)-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one (CID 135978340) is 4-(aminomethyl)-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(aminomethyl)-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(aminomethyl)-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one is NCc1cc(=O)[nH]c(C2(c3ccccc3)CCCC2)n1.
What is the InChIKey of 4-(aminomethyl)-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one?
The InChIKey is VTIJIABSIUKOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-11-13-10-14(20)19-15(18-13)16(8-4-5-9-16)12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11,17H2,(H,18,19,20).
What are the key properties of 4-(aminomethyl)-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one?
4-(aminomethyl)-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one has a molecular weight of 269.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135978340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).