N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine

C13H12ClF3N4 — CID 64584134

IUPACN-[(5-amino-2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN(Cc1cc(N)ccc1Cl)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C13H12ClF3N4/c1-21(7-8-6-9(18)2-3-10(8)14)12-19-5-4-11(20-12)13(15,16)17/h2-6H,7,18H2,1H3
InChIKeyGLKYDONKUCGYPV-UHFFFAOYSA-N
MW316.71 g/mol
LogP3.37
Rot. Bonds3

About N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine

N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 64584134) has the molecular formula C13H12ClF3N4 and a molecular weight of 316.71 g/mol. Its IUPAC name is N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(5-amino-2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID64584134
Molecular FormulaC13H12ClF3N4
Molecular Weight316.71 g/mol
Exact Mass316.07
IUPAC NameN-[(5-amino-2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN(Cc1cc(N)ccc1Cl)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C13H12ClF3N4/c1-21(7-8-6-9(18)2-3-10(8)14)12-19-5-4-11(20-12)13(15,16)17/h2-6H,7,18H2,1H3
InChIKeyGLKYDONKUCGYPV-UHFFFAOYSA-N
XLogP3.37
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine (CID 64584134) is N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine is CN(Cc1cc(N)ccc1Cl)c1nccc(C(F)(F)F)n1.
What is the InChIKey of N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is GLKYDONKUCGYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N4/c1-21(7-8-6-9(18)2-3-10(8)14)12-19-5-4-11(20-12)13(15,16)17/h2-6H,7,18H2,1H3.
What are the key properties of N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 316.71 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 64584134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).