N-ethyl-N-[(2-methylphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C15H16F3N3 — CID 133383992

IUPACN-ethyl-N-[(2-methylphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCN(Cc1ccccc1C)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3/c1-3-21(10-12-7-5-4-6-11(12)2)14-19-9-8-13(20-14)15(16,17)18/h4-9H,3,10H2,1-2H3
InChIKeyDTTBQXJZUHXVIH-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.83
Rot. Bonds4

About N-ethyl-N-[(2-methylphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-ethyl-N-[(2-methylphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 133383992) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-ethyl-N-[(2-methylphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[(2-methylphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID133383992
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-ethyl-N-[(2-methylphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCN(Cc1ccccc1C)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3/c1-3-21(10-12-7-5-4-6-11(12)2)14-19-9-8-13(20-14)15(16,17)18/h4-9H,3,10H2,1-2H3
InChIKeyDTTBQXJZUHXVIH-UHFFFAOYSA-N
XLogP3.83
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
CID 56786352
5-bromo-N-ethyl-4-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 106998750
N-benzyl-N-(2-chloroethyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 64586828
N,N-dimethyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 10750222
2-N-benzyl-2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889696
2-N-ethyl-2-N-[(2-methylphenyl)methyl]pyridine-2,3-diamine
CID 43587743
ethyl 2-[propyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetate
CID 64584141
4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747324
4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine
CID 43587748
2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine
CID 62475354
4-N,4-N-diethyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889893
2-N-benzyl-2-N-ethyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112893092

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2-methylphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-N-[(2-methylphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 133383992) is N-ethyl-N-[(2-methylphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-N-[(2-methylphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-N-[(2-methylphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is CCN(Cc1ccccc1C)c1nccc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-N-[(2-methylphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is DTTBQXJZUHXVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-3-21(10-12-7-5-4-6-11(12)2)14-19-9-8-13(20-14)15(16,17)18/h4-9H,3,10H2,1-2H3.
What are the key properties of N-ethyl-N-[(2-methylphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-ethyl-N-[(2-methylphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 295.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-methylphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 133383992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).