3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide

C18H22N4O2 — CID 137028902

IUPAC3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide
SMILESCCc1cc(=O)[nH]c(-c2cccc(NC(=O)C3CCC(N)C3)c2)n1
InChIInChI=1S/C18H22N4O2/c1-2-14-10-16(23)22-17(20-14)11-4-3-5-15(9-11)21-18(24)12-6-7-13(19)8-12/h3-5,9-10,12-13H,2,6-8,19H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyPQGXCADMZKYGFT-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.07
Rot. Bonds4

About 3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide

3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide (PubChem CID 137028902) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide
PubChem CID137028902
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide
SMILESCCc1cc(=O)[nH]c(-c2cccc(NC(=O)C3CCC(N)C3)c2)n1
InChIInChI=1S/C18H22N4O2/c1-2-14-10-16(23)22-17(20-14)11-4-3-5-15(9-11)21-18(24)12-6-7-13(19)8-12/h3-5,9-10,12-13H,2,6-8,19H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyPQGXCADMZKYGFT-UHFFFAOYSA-N
XLogP2.07
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 137094562
2-chloro-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 146083065
cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 137028895
1-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 137094564
(2S)-2-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 137028911
4-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-methoxybutanamide
CID 137045988
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide
CID 136734003
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,5-dimethyladamantane-1-carboxamide
CID 136963161
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 137028897
1-(1,2-dimethylpiperidin-3-yl)-3-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]urea
CID 167784485
(2S)-2-amino-N-[2-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)anilino]-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 137050019

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide (CID 137028902) is 3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide is CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C3CCC(N)C3)c2)n1.
What is the InChIKey of 3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is PQGXCADMZKYGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-14-10-16(23)22-17(20-14)11-4-3-5-15(9-11)21-18(24)12-6-7-13(19)8-12/h3-5,9-10,12-13H,2,6-8,19H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of 3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide?
3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 137028902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).