N-[(3-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C13H11ClF3N3 — CID 139809030

IUPACN-[(3-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cc(NCc2cccc(Cl)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H11ClF3N3/c1-8-5-11(20-12(19-8)13(15,16)17)18-7-9-3-2-4-10(14)6-9/h2-6H,7H2,1H3,(H,18,19,20)
InChIKeyOVVOAPDMBXDRQP-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.07
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine

N-[(3-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 139809030) has the molecular formula C13H11ClF3N3 and a molecular weight of 301.70 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID139809030
Molecular FormulaC13H11ClF3N3
Molecular Weight301.70 g/mol
Exact Mass301.06
IUPAC NameN-[(3-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cc(NCc2cccc(Cl)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H11ClF3N3/c1-8-5-11(20-12(19-8)13(15,16)17)18-7-9-3-2-4-10(14)6-9/h2-6H,7H2,1H3,(H,18,19,20)
InChIKeyOVVOAPDMBXDRQP-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771771
4-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80833016
6-chloro-N-[(3-methylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715553
4-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771029
6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770554
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767088
2-N-tert-butyl-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112924756
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917241
4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 78983069
3-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 106771724
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112918699
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917787

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 139809030) is N-[(3-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine is Cc1cc(NCc2cccc(Cl)c2)nc(C(F)(F)F)n1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is OVVOAPDMBXDRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3/c1-8-5-11(20-12(19-8)13(15,16)17)18-7-9-3-2-4-10(14)6-9/h2-6H,7H2,1H3,(H,18,19,20).
What are the key properties of N-[(3-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-[(3-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 301.70 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 139809030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).