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

C14H20F3N5O2 — CID 126424807

IUPAC1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-[[(2R)-morpholin-2-yl]methyl]urea
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)NC[C@H]2CNCCO2)n1
InChIInChI=1S/C14H20F3N5O2/c1-9-6-11(14(15,16)17)22-12(21-9)2-3-19-13(23)20-8-10-7-18-4-5-24-10/h6,10,18H,2-5,7-8H2,1H3,(H2,19,20,23)/t10-/m1/s1
InChIKeyGMEHGXJAPFJJLY-SNVBAGLBSA-N
MW347.34 g/mol
LogP0.63
Rot. Bonds5

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

1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-[[(2R)-morpholin-2-yl]methyl]urea (PubChem CID 126424807) has the molecular formula C14H20F3N5O2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-[[(2R)-morpholin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-[[(2R)-morpholin-2-yl]methyl]urea
PubChem CID126424807
Molecular FormulaC14H20F3N5O2
Molecular Weight347.34 g/mol
Exact Mass347.16
IUPAC Name1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-[[(2R)-morpholin-2-yl]methyl]urea
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)NC[C@H]2CNCCO2)n1
InChIInChI=1S/C14H20F3N5O2/c1-9-6-11(14(15,16)17)22-12(21-9)2-3-19-13(23)20-8-10-7-18-4-5-24-10/h6,10,18H,2-5,7-8H2,1H3,(H2,19,20,23)/t10-/m1/s1
InChIKeyGMEHGXJAPFJJLY-SNVBAGLBSA-N
XLogP0.63
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-[[(2R)-morpholin-2-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-[[(2R)-morpholin-2-yl]methyl]urea?
The IUPAC name of 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-[[(2R)-morpholin-2-yl]methyl]urea (CID 126424807) is 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-[[(2R)-morpholin-2-yl]methyl]urea.
What is the SMILES notation for 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-[[(2R)-morpholin-2-yl]methyl]urea?
The canonical SMILES for 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-[[(2R)-morpholin-2-yl]methyl]urea is Cc1cc(C(F)(F)F)nc(CCNC(=O)NC[C@H]2CNCCO2)n1.
What is the InChIKey of 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-[[(2R)-morpholin-2-yl]methyl]urea?
The InChIKey is GMEHGXJAPFJJLY-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20F3N5O2/c1-9-6-11(14(15,16)17)22-12(21-9)2-3-19-13(23)20-8-10-7-18-4-5-24-10/h6,10,18H,2-5,7-8H2,1H3,(H2,19,20,23)/t10-/m1/s1.
What are the key properties of 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-[[(2R)-morpholin-2-yl]methyl]urea?
1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-[[(2R)-morpholin-2-yl]methyl]urea has a molecular weight of 347.34 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-[[(2R)-morpholin-2-yl]methyl]urea is sourced from PubChem (CID 126424807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).