4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

C13H14F3N5 — CID 106772648

IUPAC4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCN(C)c1cccc(Nc2cc(N)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C13H14F3N5/c1-21(2)9-5-3-4-8(6-9)18-11-7-10(17)19-12(20-11)13(14,15)16/h3-7H,1-2H3,(H3,17,18,19,20)
InChIKeyJHMNYRUOOJZJMP-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.89
Rot. Bonds3

About 4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106772648) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106772648
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC Name4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCN(C)c1cccc(Nc2cc(N)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C13H14F3N5/c1-21(2)9-5-3-4-8(6-9)18-11-7-10(17)19-12(20-11)13(14,15)16/h3-7H,1-2H3,(H3,17,18,19,20)
InChIKeyJHMNYRUOOJZJMP-UHFFFAOYSA-N
XLogP2.89
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[3-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669910
4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769991
4-N-(3-bromo-4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771981
4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770133
4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772407
4-N-(2,6-dichlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772319
4-N-(4-chloro-3-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771194
4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770049
4-N-(3-bromo-4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772502
3-N,3-N-dimethyl-1-N-[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]benzene-1,3-diamine
CID 110431058
1-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 106767240
3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine
CID 115376107

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106772648) is 4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is CN(C)c1cccc(Nc2cc(N)nc(C(F)(F)F)n2)c1.
What is the InChIKey of 4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is JHMNYRUOOJZJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5/c1-21(2)9-5-3-4-8(6-9)18-11-7-10(17)19-12(20-11)13(14,15)16/h3-7H,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 297.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106772648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).