6-chloro-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C12H9ClF3N3O — CID 63736450

IUPAC6-chloro-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H9ClF3N3O/c1-7-10(13)17-6-18-11(7)19-8-3-2-4-9(5-8)20-12(14,15)16/h2-6H,1H3,(H,17,18,19)
InChIKeyAMBWZVISRAVFBN-UHFFFAOYSA-N
MW303.67 g/mol
LogP4.08
Rot. Bonds3

About 6-chloro-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine

6-chloro-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 63736450) has the molecular formula C12H9ClF3N3O and a molecular weight of 303.67 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID63736450
Molecular FormulaC12H9ClF3N3O
Molecular Weight303.67 g/mol
Exact Mass303.04
IUPAC Name6-chloro-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H9ClF3N3O/c1-7-10(13)17-6-18-11(7)19-8-3-2-4-9(5-8)20-12(14,15)16/h2-6H,1H3,(H,17,18,19)
InChIKeyAMBWZVISRAVFBN-UHFFFAOYSA-N
XLogP4.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-[3-(trifluoromethoxy)anilino]pyrimidine-5-carbaldehyde
CID 66366312
6-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 63735421
6-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63729328
4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
CID 79915945
6-chloro-5-methyl-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 63734214
2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
CID 29067513
6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine
CID 63729794
3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 105367581
6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine
CID 63735765
2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80728582
3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 63462667
6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 11694491

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 63736450) is 6-chloro-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine is Cc1c(Cl)ncnc1Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 6-chloro-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is AMBWZVISRAVFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O/c1-7-10(13)17-6-18-11(7)19-8-3-2-4-9(5-8)20-12(14,15)16/h2-6H,1H3,(H,17,18,19).
What are the key properties of 6-chloro-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
6-chloro-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 303.67 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 63736450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).