trans-(1S,2S)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

C14H11ClF3N5O — CID 165132486

IUPACtrans-(1S,2S)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(Cl)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C14H11ClF3N5O/c1-6-2-3-19-11(20-6)7-4-8(7)12(24)22-10-5-9(15)21-13(23-10)14(16,17)18/h2-3,5,7-8H,4H2,1H3,(H,21,22,23,24)/t7-,8-/m0/s1
InChIKeyPIPDGUXJKHULIG-YUMQZZPRSA-N
MW357.72 g/mol
LogP2.99
Rot. Bonds3

About trans-(1S,2S)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 165132486) has the molecular formula C14H11ClF3N5O and a molecular weight of 357.72 g/mol. Its IUPAC name is trans-(1S,2S)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
PubChem CID165132486
Molecular FormulaC14H11ClF3N5O
Molecular Weight357.72 g/mol
Exact Mass357.06
IUPAC Nametrans-(1S,2S)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(Cl)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C14H11ClF3N5O/c1-6-2-3-19-11(20-6)7-4-8(7)12(24)22-10-5-9(15)21-13(23-10)14(16,17)18/h2-3,5,7-8H,4H2,1H3,(H,21,22,23,24)/t7-,8-/m0/s1
InChIKeyPIPDGUXJKHULIG-YUMQZZPRSA-N
XLogP2.99
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.72
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-(1S,2S)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide 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 trans-(1S,2S)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 165132486) is trans-(1S,2S)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is Cc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(Cl)nc(C(F)(F)F)n2)n1.
What is the InChIKey of trans-(1S,2S)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The InChIKey is PIPDGUXJKHULIG-YUMQZZPRSA-N. The full InChI is InChI=1S/C14H11ClF3N5O/c1-6-2-3-19-11(20-6)7-4-8(7)12(24)22-10-5-9(15)21-13(23-10)14(16,17)18/h2-3,5,7-8H,4H2,1H3,(H,21,22,23,24)/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 357.72 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 165132486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).