4-chloro-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine

C12H9ClF3N3 — CID 11243177

IUPAC4-chloro-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1
InChIInChI=1S/C12H9ClF3N3/c1-7-2-4-8(5-3-7)18-11-17-6-9(10(13)19-11)12(14,15)16/h2-6H,1H3,(H,17,18,19)
InChIKeyARMJRBKSXKGWSD-UHFFFAOYSA-N
MW287.67 g/mol
LogP4.20
Rot. Bonds2

About 4-chloro-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine

4-chloro-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 11243177) has the molecular formula C12H9ClF3N3 and a molecular weight of 287.67 g/mol. Its IUPAC name is 4-chloro-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID11243177
Molecular FormulaC12H9ClF3N3
Molecular Weight287.67 g/mol
Exact Mass287.04
IUPAC Name4-chloro-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1
InChIInChI=1S/C12H9ClF3N3/c1-7-2-4-8(5-3-7)18-11-17-6-9(10(13)19-11)12(14,15)16/h2-6H,1H3,(H,17,18,19)
InChIKeyARMJRBKSXKGWSD-UHFFFAOYSA-N
XLogP4.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
N-benzylpyrimidin-5-amine
CID 819920
5-fluoro-N,N'-bis(3-methylphenyl)pyrimidine-2,4-diamine
CID 802952
4-(5-chloro-2,4-dimethyl-1H-pyrrol-3-yl)-N-(4-fluorophenyl)pyrimidin-2-amine
CID 6539315
N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 51371056
N-(4-Chlorobenzyl)pyrimidin-2-amine
CID 4882447
N-benzyl-6-chloropyrimidin-4-amine
CID 3771857
4-Chloro-2-phenylpyrimidine
CID 259157
2-Chloro-4-phenylpyrimidine
CID 605356
4-(4-(2,6-Difluorobenzyl)pyrimidin-2-ylamino)benzonitrile
CID 52952626

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine (CID 11243177) is 4-chloro-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine is Cc1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1.
What is the InChIKey of 4-chloro-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ARMJRBKSXKGWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3/c1-7-2-4-8(5-3-7)18-11-17-6-9(10(13)19-11)12(14,15)16/h2-6H,1H3,(H,17,18,19).
What are the key properties of 4-chloro-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine?
4-chloro-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 287.67 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 11243177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).