1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea

C14H19F3N4O2 — CID 97159362

IUPAC1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea
SMILESCOCc1cc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)ncn1
InChIInChI=1S/C14H19F3N4O2/c1-23-7-11-6-12(19-8-18-11)21-13(22)20-10-4-2-3-9(5-10)14(15,16)17/h6,8-10H,2-5,7H2,1H3,(H2,18,19,20,21,22)/t9-,10+/m1/s1
InChIKeyFWMVBNKPLPZXOP-ZJUUUORDSA-N
MW332.33 g/mol
LogP2.87
Rot. Bonds4

About 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea

1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea (PubChem CID 97159362) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea
PubChem CID97159362
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea
SMILESCOCc1cc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)ncn1
InChIInChI=1S/C14H19F3N4O2/c1-23-7-11-6-12(19-8-18-11)21-13(22)20-10-4-2-3-9(5-10)14(15,16)17/h6,8-10H,2-5,7H2,1H3,(H2,18,19,20,21,22)/t9-,10+/m1/s1
InChIKeyFWMVBNKPLPZXOP-ZJUUUORDSA-N
XLogP2.87
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea with MolForge

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 99601286
3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 7120710
1-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea
CID 75475619
1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 36969496
1-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534093
2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 18147803
2,3-dimethoxy-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 31061522
1-benzyl-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534298
1-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 36965311
2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid
CID 126848603
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
CID 31061860
(2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide
CID 100835824

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea (CID 97159362) is 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea is COCc1cc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)ncn1.
What is the InChIKey of 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is FWMVBNKPLPZXOP-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-23-7-11-6-12(19-8-18-11)21-13(22)20-10-4-2-3-9(5-10)14(15,16)17/h6,8-10H,2-5,7H2,1H3,(H2,18,19,20,21,22)/t9-,10+/m1/s1.
What are the key properties of 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea?
1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 332.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 97159362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).