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

C11H17F3N4O — CID 106773034

IUPAC4-N-(2-ethoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCOC(C)CNc1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N4O/c1-4-19-7(2)6-16-9-5-8(15-3)17-10(18-9)11(12,13)14/h5,7H,4,6H2,1-3H3,(H2,15,16,17,18)
InChIKeyBREBIHUYSJVXQT-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.37
Rot. Bonds6

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

4-N-(2-ethoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106773034) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 4-N-(2-ethoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106773034
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name4-N-(2-ethoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCOC(C)CNc1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N4O/c1-4-19-7(2)6-16-9-5-8(15-3)17-10(18-9)11(12,13)14/h5,7H,4,6H2,1-3H3,(H2,15,16,17,18)
InChIKeyBREBIHUYSJVXQT-UHFFFAOYSA-N
XLogP2.37
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,2-diol
CID 106772397
3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 106772537
6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719521
6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106296239
4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773341
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967240
6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772673
4-N-(3-butoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773058
4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772999
6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine
CID 115658236
N-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106771575
1-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80933620

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106773034) is 4-N-(2-ethoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCOC(C)CNc1cc(NC)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(2-ethoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is BREBIHUYSJVXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-4-19-7(2)6-16-9-5-8(15-3)17-10(18-9)11(12,13)14/h5,7H,4,6H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2-ethoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-(2-ethoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 278.28 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106773034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).