N-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

C15H16F3N3 — CID 114563283

IUPACN-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(-c2ccc(C(C)C)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3/c1-9(2)10-4-6-11(7-5-10)12-8-13(15(16,17)18)21-14(19-3)20-12/h4-9H,1-3H3,(H,19,20,21)
InChIKeyNCAZSDLQXKOLOV-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.33
Rot. Bonds3

About N-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

N-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114563283) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114563283
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(-c2ccc(C(C)C)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3/c1-9(2)10-4-6-11(7-5-10)12-8-13(15(16,17)18)21-14(19-3)20-12/h4-9H,1-3H3,(H,19,20,21)
InChIKeyNCAZSDLQXKOLOV-UHFFFAOYSA-N
XLogP4.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563284
N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 1419469
4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563203
N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821862
4-(2,3-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563172
4-(2,6-difluoro-3-methylphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563489
5-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyridine-3-carbonitrile
CID 114563422
[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 91926262
4-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821870
[[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]amino]thiourea
CID 91927366
N-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563377
4-(4-chlorophenyl)-N-cyclohexyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821955

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114563283) is N-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is CNc1nc(-c2ccc(C(C)C)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is NCAZSDLQXKOLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-9(2)10-4-6-11(7-5-10)12-8-13(15(16,17)18)21-14(19-3)20-12/h4-9H,1-3H3,(H,19,20,21).
What are the key properties of N-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 295.31 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114563283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).