4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

C9H13F3N4O — CID 106773341

IUPAC4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCOC(C)CNc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N4O/c1-5(17-2)4-14-7-3-6(13)15-8(16-7)9(10,11)12/h3,5H,4H2,1-2H3,(H3,13,14,15,16)
InChIKeyZLPXYLIBPNVJQI-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.52
Rot. Bonds4

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

4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106773341) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106773341
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCOC(C)CNc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N4O/c1-5(17-2)4-14-7-3-6(13)15-8(16-7)9(10,11)12/h3,5H,4H2,1-2H3,(H3,13,14,15,16)
InChIKeyZLPXYLIBPNVJQI-UHFFFAOYSA-N
XLogP1.52
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 106773118
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771783
6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719521
4-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770439
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 106770327
2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine
CID 115409403
4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769922
4-N-(2-ethoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773034
6-N-ethyl-4-N-(2-methoxypropyl)pyrimidine-2,4,6-triamine
CID 102701909
3-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 106772283
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 114157114
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179444

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106773341) is 4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is COC(C)CNc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is ZLPXYLIBPNVJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-5(17-2)4-14-7-3-6(13)15-8(16-7)9(10,11)12/h3,5H,4H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 250.22 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106773341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).