6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine

C13H12ClF3N4 — CID 31537715

IUPAC6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCN(Cc1ccc(C(F)(F)F)cc1)c1cc(Cl)nc(N)n1
InChIInChI=1S/C13H12ClF3N4/c1-21(11-6-10(14)19-12(18)20-11)7-8-2-4-9(5-3-8)13(15,16)17/h2-6H,7H2,1H3,(H2,18,19,20)
InChIKeyDDTYZTVPRXHJKI-UHFFFAOYSA-N
MW316.71 g/mol
LogP3.37
Rot. Bonds3

About 6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine

6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 31537715) has the molecular formula C13H12ClF3N4 and a molecular weight of 316.71 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID31537715
Molecular FormulaC13H12ClF3N4
Molecular Weight316.71 g/mol
Exact Mass316.07
IUPAC Name6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCN(Cc1ccc(C(F)(F)F)cc1)c1cc(Cl)nc(N)n1
InChIInChI=1S/C13H12ClF3N4/c1-21(11-6-10(14)19-12(18)20-11)7-8-2-4-9(5-3-8)13(15,16)17/h2-6H,7H2,1H3,(H2,18,19,20)
InChIKeyDDTYZTVPRXHJKI-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

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Related Compounds

6-chloro-4-N-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 31537685
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564315
4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 113221848
4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564313
6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 31537704
6-chloro-4-N-(2,2-difluoroethyl)-4-N-methylpyrimidine-2,4-diamine
CID 115611744
4-N-[(4-bromophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112726058
6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715603
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771038
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715602
6-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 78952189
N-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 60875723

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine (CID 31537715) is 6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine is CN(Cc1ccc(C(F)(F)F)cc1)c1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is DDTYZTVPRXHJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N4/c1-21(11-6-10(14)19-12(18)20-11)7-8-2-4-9(5-3-8)13(15,16)17/h2-6H,7H2,1H3,(H2,18,19,20).
What are the key properties of 6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine 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 6-chloro-4-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 31537715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).