1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[4-(trifluoromethyl)cyclohexyl]urea

C19H21F3N4O2 — CID 166181142

IUPAC1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(Nc1cccc(Cn2cccnc2=O)c1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C19H21F3N4O2/c20-19(21,22)14-5-7-15(8-6-14)24-17(27)25-16-4-1-3-13(11-16)12-26-10-2-9-23-18(26)28/h1-4,9-11,14-15H,5-8,12H2,(H2,24,25,27)
InChIKeyJYAPKCNTNPUHDB-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.53
Rot. Bonds4

About 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[4-(trifluoromethyl)cyclohexyl]urea

1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[4-(trifluoromethyl)cyclohexyl]urea (PubChem CID 166181142) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[4-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
PubChem CID166181142
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(Nc1cccc(Cn2cccnc2=O)c1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C19H21F3N4O2/c20-19(21,22)14-5-7-15(8-6-14)24-17(27)25-16-4-1-3-13(11-16)12-26-10-2-9-23-18(26)28/h1-4,9-11,14-15H,5-8,12H2,(H2,24,25,27)
InChIKeyJYAPKCNTNPUHDB-UHFFFAOYSA-N
XLogP3.53
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-cyclohexylacetyl)amino]-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide
CID 166199824
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 167757482
1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea
CID 166197402
1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 86988645
(3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide
CID 94153158
9-amino-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986638
1-(2-benzylsulfonylethyl)-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 47050413
1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 47050365
tert-butyl (2S)-3-methyl-2-[[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]carbamoylamino]butanoate
CID 71919178
1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24664740
1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24651175
1-[(2R)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 95150746

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[4-(trifluoromethyl)cyclohexyl]urea (CID 166181142) is 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[4-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[4-(trifluoromethyl)cyclohexyl]urea is O=C(Nc1cccc(Cn2cccnc2=O)c1)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is JYAPKCNTNPUHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c20-19(21,22)14-5-7-15(8-6-14)24-17(27)25-16-4-1-3-13(11-16)12-26-10-2-9-23-18(26)28/h1-4,9-11,14-15H,5-8,12H2,(H2,24,25,27).
What are the key properties of 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[4-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 394.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[4-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 166181142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).