N-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C15H16F3N3 — CID 80940706

IUPACN-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCCCc1nc(NC)cc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H16F3N3/c1-3-4-13-20-12(9-14(19-2)21-13)10-5-7-11(8-6-10)15(16,17)18/h5-9H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyVWAXLUGWCZFXKG-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.16
Rot. Bonds4

About N-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 80940706) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID80940706
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCCCc1nc(NC)cc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H16F3N3/c1-3-4-13-20-12(9-14(19-2)21-13)10-5-7-11(8-6-10)15(16,17)18/h5-9H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyVWAXLUGWCZFXKG-UHFFFAOYSA-N
XLogP4.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-6-phenyl-2-propylpyrimidin-4-amine
CID 55045530
N-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 80946552
2-butyl-N-methyl-6-phenylpyrimidin-4-amine
CID 79412255
6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 113324696
6-(2,6-difluoro-3-methylphenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 82822927
6-(3-methoxyphenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80946276
N-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine
CID 80945811
6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80946119
6-(furan-2-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80945903
6-phenyl-N,2-dipropylpyrimidin-4-amine
CID 55193281
4-(4-tert-butylphenyl)-6-chloro-2-propylpyrimidine
CID 80946463
6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine
CID 80939152

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 80940706) is N-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is CCCc1nc(NC)cc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is VWAXLUGWCZFXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-3-4-13-20-12(9-14(19-2)21-13)10-5-7-11(8-6-10)15(16,17)18/h5-9H,3-4H2,1-2H3,(H,19,20,21).
What are the key properties of N-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 295.31 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 80940706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).