1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(thiophen-2-ylmethyl)urea

C14H15F3N4OS — CID 71797024

IUPAC1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)NCc2cccs2)n1
InChIInChI=1S/C14H15F3N4OS/c1-9-7-11(14(15,16)17)21-12(20-9)4-5-18-13(22)19-8-10-3-2-6-23-10/h2-3,6-7H,4-5,8H2,1H3,(H2,18,19,22)
InChIKeyJSPQVNOHTBROPR-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.91
Rot. Bonds5

About 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(thiophen-2-ylmethyl)urea

1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 71797024) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID71797024
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)NCc2cccs2)n1
InChIInChI=1S/C14H15F3N4OS/c1-9-7-11(14(15,16)17)21-12(20-9)4-5-18-13(22)19-8-10-3-2-6-23-10/h2-3,6-7H,4-5,8H2,1H3,(H2,18,19,22)
InChIKeyJSPQVNOHTBROPR-UHFFFAOYSA-N
XLogP2.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-2,6-dithiophen-2-yl)pyrimidin-4-yl)acetamide
CID 50940965
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (thiophen-2-ylmethyl)-amide
CID 645574
N-Isobutyl-2-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 1152385
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 2524618
N-sec-Butyl-2-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 3145753
3-[[6-methyl-2-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]amino]-N-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 44528000
N-[4-(diethylamino)phenyl]-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 1152414
2-thiophen-2-yl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 91919283
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (thiophen-2-ylmethyl)-amide
CID 656010
N-(2-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}ethyl)thiophene-2-carboxamide
CID 2795994
N-propyl-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 3145751
N-butyl-4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821558

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(thiophen-2-ylmethyl)urea (CID 71797024) is 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(thiophen-2-ylmethyl)urea is Cc1cc(C(F)(F)F)nc(CCNC(=O)NCc2cccs2)n1.
What is the InChIKey of 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is JSPQVNOHTBROPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c1-9-7-11(14(15,16)17)21-12(20-9)4-5-18-13(22)19-8-10-3-2-6-23-10/h2-3,6-7H,4-5,8H2,1H3,(H2,18,19,22).
What are the key properties of 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(thiophen-2-ylmethyl)urea?
1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 344.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 71797024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).