4-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine

C6H7F3N4O — CID 23358646

IUPAC4-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
SMILESCNc1cc(OC(F)(F)F)nc(N)n1
InChIInChI=1S/C6H7F3N4O/c1-11-3-2-4(13-5(10)12-3)14-6(7,8)9/h2H,1H3,(H3,10,11,12,13)
InChIKeyQOBUKNFZDQYTOZ-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.00
Rot. Bonds2

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

4-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine (PubChem CID 23358646) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is 4-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
PubChem CID23358646
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC Name4-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
SMILESCNc1cc(OC(F)(F)F)nc(N)n1
InChIInChI=1S/C6H7F3N4O/c1-11-3-2-4(13-5(10)12-3)14-6(7,8)9/h2H,1H3,(H3,10,11,12,13)
InChIKeyQOBUKNFZDQYTOZ-UHFFFAOYSA-N
XLogP1.00
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-Dimethoxy-4-aminopyrimidine
CID 76789
4-Amino-6-methoxypyrimidine
CID 735731
2,4-Diamino-6-methoxypyrimidine
CID 816925
2-Amino-6-fluoro-4-methoxypyrimidine
CID 759140
6-Methoxy-2-methylpyrimidin-4-amine
CID 549435
4-N-butyl-6-methoxypyrimidine-2,4-diamine
CID 103817396
4-Fluoro-2,6-dimethoxypyrimidine
CID 594067
4,6-dimethoxy-N-methylpyrimidin-2-amine
CID 676475
6-methoxy-N-methylpyrimidin-4-amine
CID 16044348
6-Methoxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 606209
4,6-Bis(difluoromethoxy)pyrimidin-2-amine
CID 13491823
4-Fluoro-6-methoxypyrimidine
CID 45080334

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine (CID 23358646) is 4-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine is CNc1cc(OC(F)(F)F)nc(N)n1.
What is the InChIKey of 4-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine?
The InChIKey is QOBUKNFZDQYTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c1-11-3-2-4(13-5(10)12-3)14-6(7,8)9/h2H,1H3,(H3,10,11,12,13).
What are the key properties of 4-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine?
4-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine has a molecular weight of 208.14 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 23358646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).