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

C23H24N4O2 — CID 118543389

IUPAC5-amino-2-methylidene-4-oxo-N-[(1S,3R)-3-(4-phenylphenyl)cyclopentyl]-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)C(N)=C(C(=O)N[C@H]2CC[C@@H](c3ccc(-c4ccccc4)cc3)C2)N1
InChIInChI=1S/C23H24N4O2/c1-14-25-21(20(24)22(28)26-14)23(29)27-19-12-11-18(13-19)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,18-19,25H,1,11-13,24H2,(H,26,28)(H,27,29)/t18-,19+/m1/s1
InChIKeyUEHKHBARJSXLEC-MOPGFXCFSA-N
MW388.47 g/mol
LogP2.47
Rot. Bonds4

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

5-amino-2-methylidene-4-oxo-N-[(1S,3R)-3-(4-phenylphenyl)cyclopentyl]-1H-pyrimidine-6-carboxamide (PubChem CID 118543389) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-amino-2-methylidene-4-oxo-N-[(1S,3R)-3-(4-phenylphenyl)cyclopentyl]-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-methylidene-4-oxo-N-[(1S,3R)-3-(4-phenylphenyl)cyclopentyl]-1H-pyrimidine-6-carboxamide
PubChem CID118543389
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name5-amino-2-methylidene-4-oxo-N-[(1S,3R)-3-(4-phenylphenyl)cyclopentyl]-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)C(N)=C(C(=O)N[C@H]2CC[C@@H](c3ccc(-c4ccccc4)cc3)C2)N1
InChIInChI=1S/C23H24N4O2/c1-14-25-21(20(24)22(28)26-14)23(29)27-19-12-11-18(13-19)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,18-19,25H,1,11-13,24H2,(H,26,28)(H,27,29)/t18-,19+/m1/s1
InChIKeyUEHKHBARJSXLEC-MOPGFXCFSA-N
XLogP2.47
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[(1S,3R)-3-[4-(2-carbamoylphenyl)phenyl]cyclopentyl]-2-methylidene-4-oxo-1H-pyrimidine-6-carboxamide
CID 118543407
5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide
CID 118543346
5-amino-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
CID 118543276
5-bromo-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
CID 118543485
tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate
CID 139378275
1-(3-chlorocyclopentyl)-4-phenylbenzene
CID 65455523
N-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide
CID 175179674
N-cyclopropyl-3-[(3-phenylcyclobutyl)amino]propanamide
CID 79386458
4-(4-phenylphenyl)piperidine-2-carboxamide
CID 65455321
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
N-(4-cyclopropylphenyl)-4-phenylbenzamide
CID 123874228
(2S,4S)-1-acetyl-4-(4-phenylphenyl)piperidine-2-carboxamide
CID 173092107

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methylidene-4-oxo-N-[(1S,3R)-3-(4-phenylphenyl)cyclopentyl]-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-methylidene-4-oxo-N-[(1S,3R)-3-(4-phenylphenyl)cyclopentyl]-1H-pyrimidine-6-carboxamide (CID 118543389) is 5-amino-2-methylidene-4-oxo-N-[(1S,3R)-3-(4-phenylphenyl)cyclopentyl]-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-methylidene-4-oxo-N-[(1S,3R)-3-(4-phenylphenyl)cyclopentyl]-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-methylidene-4-oxo-N-[(1S,3R)-3-(4-phenylphenyl)cyclopentyl]-1H-pyrimidine-6-carboxamide is C=C1NC(=O)C(N)=C(C(=O)N[C@H]2CC[C@@H](c3ccc(-c4ccccc4)cc3)C2)N1.
What is the InChIKey of 5-amino-2-methylidene-4-oxo-N-[(1S,3R)-3-(4-phenylphenyl)cyclopentyl]-1H-pyrimidine-6-carboxamide?
The InChIKey is UEHKHBARJSXLEC-MOPGFXCFSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14-25-21(20(24)22(28)26-14)23(29)27-19-12-11-18(13-19)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,18-19,25H,1,11-13,24H2,(H,26,28)(H,27,29)/t18-,19+/m1/s1.
What are the key properties of 5-amino-2-methylidene-4-oxo-N-[(1S,3R)-3-(4-phenylphenyl)cyclopentyl]-1H-pyrimidine-6-carboxamide?
5-amino-2-methylidene-4-oxo-N-[(1S,3R)-3-(4-phenylphenyl)cyclopentyl]-1H-pyrimidine-6-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 2.47, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methylidene-4-oxo-N-[(1S,3R)-3-(4-phenylphenyl)cyclopentyl]-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 118543389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).