1-cyclohexyl-3-(2-ethylpyrimidin-5-yl)-1-(2-hydroxypropyl)urea

C16H26N4O2 — CID 75505185

IUPAC1-cyclohexyl-3-(2-ethylpyrimidin-5-yl)-1-(2-hydroxypropyl)urea
SMILESCCc1ncc(NC(=O)N(CC(C)O)C2CCCCC2)cn1
InChIInChI=1S/C16H26N4O2/c1-3-15-17-9-13(10-18-15)19-16(22)20(11-12(2)21)14-7-5-4-6-8-14/h9-10,12,14,21H,3-8,11H2,1-2H3,(H,19,22)
InChIKeyDQDPRGKSTLHNOL-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.59
Rot. Bonds5

About 1-cyclohexyl-3-(2-ethylpyrimidin-5-yl)-1-(2-hydroxypropyl)urea

1-cyclohexyl-3-(2-ethylpyrimidin-5-yl)-1-(2-hydroxypropyl)urea (PubChem CID 75505185) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-ethylpyrimidin-5-yl)-1-(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-ethylpyrimidin-5-yl)-1-(2-hydroxypropyl)urea
PubChem CID75505185
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-cyclohexyl-3-(2-ethylpyrimidin-5-yl)-1-(2-hydroxypropyl)urea
SMILESCCc1ncc(NC(=O)N(CC(C)O)C2CCCCC2)cn1
InChIInChI=1S/C16H26N4O2/c1-3-15-17-9-13(10-18-15)19-16(22)20(11-12(2)21)14-7-5-4-6-8-14/h9-10,12,14,21H,3-8,11H2,1-2H3,(H,19,22)
InChIKeyDQDPRGKSTLHNOL-UHFFFAOYSA-N
XLogP2.59
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(cyanomethyl)phenyl]-1-cyclohexyl-1-(2-hydroxypropyl)urea
CID 86784494
1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea
CID 97261269
1-cyclohexyl-1-(2-hydroxypropyl)-3-prop-2-ynylurea
CID 75457866
1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-prop-2-ynylurea
CID 97308157
1-cyclohexyl-1-(2-hydroxypropyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 75457865
9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120993240
2-chloro-N-cyclohexyl-N-(2-hydroxypropyl)acetamide
CID 154848803
3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea
CID 72932044
3-(2-tert-butylpyrimidin-5-yl)-1-cyclobutyl-1-methylurea
CID 97218500
methyl N-(2-ethylpyrimidin-5-yl)carbamate
CID 126992347
3-amino-N-(2-ethylpyrimidin-5-yl)butanamide;hydrochloride
CID 120873359
(2S)-N-(2-ethylpyrimidin-5-yl)-3-methoxy-2-methylpropanamide
CID 164641250

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-ethylpyrimidin-5-yl)-1-(2-hydroxypropyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-ethylpyrimidin-5-yl)-1-(2-hydroxypropyl)urea (CID 75505185) is 1-cyclohexyl-3-(2-ethylpyrimidin-5-yl)-1-(2-hydroxypropyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-ethylpyrimidin-5-yl)-1-(2-hydroxypropyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-ethylpyrimidin-5-yl)-1-(2-hydroxypropyl)urea is CCc1ncc(NC(=O)N(CC(C)O)C2CCCCC2)cn1.
What is the InChIKey of 1-cyclohexyl-3-(2-ethylpyrimidin-5-yl)-1-(2-hydroxypropyl)urea?
The InChIKey is DQDPRGKSTLHNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-15-17-9-13(10-18-15)19-16(22)20(11-12(2)21)14-7-5-4-6-8-14/h9-10,12,14,21H,3-8,11H2,1-2H3,(H,19,22).
What are the key properties of 1-cyclohexyl-3-(2-ethylpyrimidin-5-yl)-1-(2-hydroxypropyl)urea?
1-cyclohexyl-3-(2-ethylpyrimidin-5-yl)-1-(2-hydroxypropyl)urea has a molecular weight of 306.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-ethylpyrimidin-5-yl)-1-(2-hydroxypropyl)urea is sourced from PubChem (CID 75505185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).