4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

C12H18F3N5 — CID 106772433

IUPAC4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCN(CC1CCCN1C)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5/c1-19-5-3-4-8(19)7-20(2)10-6-9(16)17-11(18-10)12(13,14)15/h6,8H,3-5,7H2,1-2H3,(H2,16,17,18)
InChIKeyVBJLGDXHRJRGQM-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.61
Rot. Bonds3

About 4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106772433) has the molecular formula C12H18F3N5 and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106772433
Molecular FormulaC12H18F3N5
Molecular Weight289.31 g/mol
Exact Mass289.15
IUPAC Name4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCN(CC1CCCN1C)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5/c1-19-5-3-4-8(19)7-20(2)10-6-9(16)17-11(18-10)12(13,14)15/h6,8H,3-5,7H2,1-2H3,(H2,16,17,18)
InChIKeyVBJLGDXHRJRGQM-UHFFFAOYSA-N
XLogP1.61
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80848122
4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848121
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 175854724
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 106771112
4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770641
5-fluoro-3-N-methyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine
CID 79304677
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772544
2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80967726
4-N-butyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769909
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79303386
6-(2-aminoethyl)-N,2-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine
CID 95211925
6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718436

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106772433) is 4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is CN(CC1CCCN1C)c1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is VBJLGDXHRJRGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5/c1-19-5-3-4-8(19)7-20(2)10-6-9(16)17-11(18-10)12(13,14)15/h6,8H,3-5,7H2,1-2H3,(H2,16,17,18).
What are the key properties of 4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 289.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106772433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).