6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

C12H19F3N4 — CID 106770293

IUPAC6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N4/c1-4-6-19(7-5-2)10-8-9(16-3)17-11(18-10)12(13,14)15/h8H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyMPEPGTSYVSDTQK-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.16
Rot. Bonds6

About 6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106770293) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106770293
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N4/c1-4-6-19(7-5-2)10-8-9(16-3)17-11(18-10)12(13,14)15/h8H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyMPEPGTSYVSDTQK-UHFFFAOYSA-N
XLogP3.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770291
4-N,4-N,6-N-tripropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770292
4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772027
2-[butyl-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 106771446
4-N,6-N-dimethyl-4-N-pentan-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770867
6-N-methyl-4-N,4-N,2-tripropylpyrimidine-4,6-diamine
CID 80946205
2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80961548
4-N-(cyclobutylmethyl)-4-N,6-N-dimethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771813
2-tert-butyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80964814
4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770835
2-tert-butyl-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80957345
6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772673

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106770293) is 6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCCN(CCC)c1cc(NC)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is MPEPGTSYVSDTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-4-6-19(7-5-2)10-8-9(16-3)17-11(18-10)12(13,14)15/h8H,4-7H2,1-3H3,(H,16,17,18).
What are the key properties of 6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 276.31 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106770293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).