4-chloro-6-[2-methyl-6-(2-methylpropyl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine

C16H17ClF3N3 — CID 163243156

IUPAC4-chloro-6-[2-methyl-6-(2-methylpropyl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cccc(CC(C)C)c1-c1nc(N)nc(Cl)c1C(F)(F)F
InChIInChI=1S/C16H17ClF3N3/c1-8(2)7-10-6-4-5-9(3)11(10)13-12(16(18,19)20)14(17)23-15(21)22-13/h4-6,8H,7H2,1-3H3,(H2,21,22,23)
InChIKeyGLTVMHUVBCXPDG-UHFFFAOYSA-N
MW343.78 g/mol
LogP4.90
Rot. Bonds3

About 4-chloro-6-[2-methyl-6-(2-methylpropyl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine

4-chloro-6-[2-methyl-6-(2-methylpropyl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 163243156) has the molecular formula C16H17ClF3N3 and a molecular weight of 343.78 g/mol. Its IUPAC name is 4-chloro-6-[2-methyl-6-(2-methylpropyl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2-methyl-6-(2-methylpropyl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID163243156
Molecular FormulaC16H17ClF3N3
Molecular Weight343.78 g/mol
Exact Mass343.11
IUPAC Name4-chloro-6-[2-methyl-6-(2-methylpropyl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cccc(CC(C)C)c1-c1nc(N)nc(Cl)c1C(F)(F)F
InChIInChI=1S/C16H17ClF3N3/c1-8(2)7-10-6-4-5-9(3)11(10)13-12(16(18,19)20)14(17)23-15(21)22-13/h4-6,8H,7H2,1-3H3,(H2,21,22,23)
InChIKeyGLTVMHUVBCXPDG-UHFFFAOYSA-N
XLogP4.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.78
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimethamine
CID 4993
4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine
CID 196968
2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
5-(4-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 134531
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9974420
5-(3-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10060600
5-(3-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 13926968
5-(4-Chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine
CID 23423608
4-Chloro-5-[(4-chlorophenyl)methyl]-6-methyl-2-pyrimidinamine
CID 3154202
5-((4-Chlorophenyl)methyl)-6-methylpyrimidine-2,4(1H,3H)-diimine
CID 134621
5-(4-Chloro-phenyl)-6-(3-phenyl-propyl)-pyrimidine-2,4-diamine
CID 11121319

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-methyl-6-(2-methylpropyl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[2-methyl-6-(2-methylpropyl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 163243156) is 4-chloro-6-[2-methyl-6-(2-methylpropyl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[2-methyl-6-(2-methylpropyl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[2-methyl-6-(2-methylpropyl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine is Cc1cccc(CC(C)C)c1-c1nc(N)nc(Cl)c1C(F)(F)F.
What is the InChIKey of 4-chloro-6-[2-methyl-6-(2-methylpropyl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is GLTVMHUVBCXPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF3N3/c1-8(2)7-10-6-4-5-9(3)11(10)13-12(16(18,19)20)14(17)23-15(21)22-13/h4-6,8H,7H2,1-3H3,(H2,21,22,23).
What are the key properties of 4-chloro-6-[2-methyl-6-(2-methylpropyl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine?
4-chloro-6-[2-methyl-6-(2-methylpropyl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 343.78 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-methyl-6-(2-methylpropyl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 163243156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).