6-methyl-N-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyrimidin-4-amine

C14H14F3N3 — CID 138052383

IUPAC6-methyl-N-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCc1cc(NCc2ccc(CC(F)(F)F)cc2)ncn1
InChIInChI=1S/C14H14F3N3/c1-10-6-13(20-9-19-10)18-8-12-4-2-11(3-5-12)7-14(15,16)17/h2-6,9H,7-8H2,1H3,(H,18,19,20)
InChIKeySWJJWPLGZGFISA-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.50
Rot. Bonds4

About 6-methyl-N-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyrimidin-4-amine

6-methyl-N-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 138052383) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 6-methyl-N-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID138052383
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name6-methyl-N-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCc1cc(NCc2ccc(CC(F)(F)F)cc2)ncn1
InChIInChI=1S/C14H14F3N3/c1-10-6-13(20-9-19-10)18-8-12-4-2-11(3-5-12)7-14(15,16)17/h2-6,9H,7-8H2,1H3,(H,18,19,20)
InChIKeySWJJWPLGZGFISA-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 54966097
N-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 62502673
6-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-4-amine
CID 108775741
N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 61226702
N-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133300375
6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66328025
6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine
CID 102609023
6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine
CID 61224152
(2,6-dimethylmorpholin-4-yl)-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanone
CID 133298921
N-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine
CID 126987889
6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265801
4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine
CID 113231864

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyrimidin-4-amine (CID 138052383) is 6-methyl-N-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyrimidin-4-amine is Cc1cc(NCc2ccc(CC(F)(F)F)cc2)ncn1.
What is the InChIKey of 6-methyl-N-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is SWJJWPLGZGFISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-10-6-13(20-9-19-10)18-8-12-4-2-11(3-5-12)7-14(15,16)17/h2-6,9H,7-8H2,1H3,(H,18,19,20).
What are the key properties of 6-methyl-N-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyrimidin-4-amine?
6-methyl-N-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 281.28 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 138052383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).