5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide

C17H20N4O2 — CID 118543346

IUPAC5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)N[C@H]2CC[C@@H](c3ccccc3)C2)=C1N
InChIInChI=1S/C17H20N4O2/c1-10-14(18)15(21-17(23)19-10)16(22)20-13-8-7-12(9-13)11-5-3-2-4-6-11/h2-6,12-13H,1,7-9,18H2,(H,20,22)(H2,19,21,23)/t12-,13+/m1/s1
InChIKeyFADYNWDDJZBCJO-OLZOCXBDSA-N
MW312.37 g/mol
LogP1.44
Rot. Bonds3

About 5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide

5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide (PubChem CID 118543346) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide
PubChem CID118543346
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)N[C@H]2CC[C@@H](c3ccccc3)C2)=C1N
InChIInChI=1S/C17H20N4O2/c1-10-14(18)15(21-17(23)19-10)16(22)20-13-8-7-12(9-13)11-5-3-2-4-6-11/h2-6,12-13H,1,7-9,18H2,(H,20,22)(H2,19,21,23)/t12-,13+/m1/s1
InChIKeyFADYNWDDJZBCJO-OLZOCXBDSA-N
XLogP1.44
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
CID 118543276
5-amino-2-methylidene-4-oxo-N-[(1S,3R)-3-(4-phenylphenyl)cyclopentyl]-1H-pyrimidine-6-carboxamide
CID 118543389
5-bromo-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
CID 118543485
5-amino-N-[(1S,3R)-3-[4-(2-carbamoylphenyl)phenyl]cyclopentyl]-2-methylidene-4-oxo-1H-pyrimidine-6-carboxamide
CID 118543407
5-[[(1S)-1-cyclohexylethyl]amino]-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
CID 118543439
5-amino-N-[4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
CID 118543324
5-amino-4-methylidene-2-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)-1H-pyrimidine-6-carboxamide
CID 118543322
N-[(1R,3R)-3-phenylcyclohexyl]acetamide
CID 102139469
3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide
CID 86730086
6-[(3-phenylcyclopentyl)amino]pyridine-3-carboxamide
CID 126962294
1-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119285410
1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 66551085

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide (CID 118543346) is 5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide is C=C1NC(=O)NC(C(=O)N[C@H]2CC[C@@H](c3ccccc3)C2)=C1N.
What is the InChIKey of 5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide?
The InChIKey is FADYNWDDJZBCJO-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10-14(18)15(21-17(23)19-10)16(22)20-13-8-7-12(9-13)11-5-3-2-4-6-11/h2-6,12-13H,1,7-9,18H2,(H,20,22)(H2,19,21,23)/t12-,13+/m1/s1.
What are the key properties of 5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide?
5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.44, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 118543346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).