1-[(1S)-1-cyclohexylethyl]-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]urea

C14H22N4O2 — CID 135859809

IUPAC1-[(1S)-1-cyclohexylethyl]-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]urea
SMILESC[C@H](NC(=O)NCc1cc(=O)[nH]cn1)C1CCCCC1
InChIInChI=1S/C14H22N4O2/c1-10(11-5-3-2-4-6-11)18-14(20)15-8-12-7-13(19)17-9-16-12/h7,9-11H,2-6,8H2,1H3,(H2,15,18,20)(H,16,17,19)/t10-/m0/s1
InChIKeyABUYOBPIFBWBPD-JTQLQIEISA-N
MW278.36 g/mol
LogP1.54
Rot. Bonds4

About 1-[(1S)-1-cyclohexylethyl]-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]urea

1-[(1S)-1-cyclohexylethyl]-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]urea (PubChem CID 135859809) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[(1S)-1-cyclohexylethyl]-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-cyclohexylethyl]-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]urea
PubChem CID135859809
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[(1S)-1-cyclohexylethyl]-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]urea
SMILESC[C@H](NC(=O)NCc1cc(=O)[nH]cn1)C1CCCCC1
InChIInChI=1S/C14H22N4O2/c1-10(11-5-3-2-4-6-11)18-14(20)15-8-12-7-13(19)17-9-16-12/h7,9-11H,2-6,8H2,1H3,(H2,15,18,20)(H,16,17,19)/t10-/m0/s1
InChIKeyABUYOBPIFBWBPD-JTQLQIEISA-N
XLogP1.54
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-1-cyclohexylethyl]-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylhexyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea;1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 139212309
1-[5-methyl-2-(3-methylbutyl)hexyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 139249156
1-[9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 139249157
1-[13-methyl-10-(3-methylbutyl)-2-[11-methyl-8-(3-methylbutyl)-4-[7-methyl-4-(3-methylbutyl)octyl]dodecyl]-6-[7-methyl-4-(3-methylbutyl)octyl]tetradecyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 139249158
1-[7-methyl-4-(3-methylbutyl)octyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 139249159
1-[11-methyl-8-(3-methylbutyl)-4-[7-methyl-4-(3-methylbutyl)octyl]dodecyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 139249161
1-[15-methyl-12-(3-methylbutyl)-4-[11-methyl-8-(3-methylbutyl)-4-[7-methyl-4-(3-methylbutyl)octyl]dodecyl]-8-[7-methyl-4-(3-methylbutyl)octyl]hexadecyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 139249162
2-(dimethylamino)-6-oxo-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide
CID 136349366
2-(dimethylamino)-6-oxo-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide
CID 136811127
2-(dimethylamino)-6-oxo-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide
CID 136811128
2-(dimethylamino)-6-oxo-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide
CID 136811129
2-(dimethylamino)-6-oxo-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]-1H-pyrimidine-4-carboxamide
CID 136811130

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclohexylethyl]-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]urea?
The IUPAC name of 1-[(1S)-1-cyclohexylethyl]-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]urea (CID 135859809) is 1-[(1S)-1-cyclohexylethyl]-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]urea.
What is the SMILES notation for 1-[(1S)-1-cyclohexylethyl]-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]urea?
The canonical SMILES for 1-[(1S)-1-cyclohexylethyl]-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]urea is C[C@H](NC(=O)NCc1cc(=O)[nH]cn1)C1CCCCC1.
What is the InChIKey of 1-[(1S)-1-cyclohexylethyl]-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]urea?
The InChIKey is ABUYOBPIFBWBPD-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(11-5-3-2-4-6-11)18-14(20)15-8-12-7-13(19)17-9-16-12/h7,9-11H,2-6,8H2,1H3,(H2,15,18,20)(H,16,17,19)/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-cyclohexylethyl]-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]urea?
1-[(1S)-1-cyclohexylethyl]-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]urea has a molecular weight of 278.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclohexylethyl]-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]urea is sourced from PubChem (CID 135859809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).