4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C12H19F3N4O — CID 114564720

IUPAC4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(NC(C)COCC)cc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N4O/c1-4-16-11-18-9(12(13,14)15)6-10(19-11)17-8(3)7-20-5-2/h6,8H,4-5,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyRPNRKGFRVNOCSV-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.76
Rot. Bonds7

About 4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114564720) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114564720
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(NC(C)COCC)cc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N4O/c1-4-16-11-18-9(12(13,14)15)6-10(19-11)17-8(3)7-20-5-2/h6,8H,4-5,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyRPNRKGFRVNOCSV-UHFFFAOYSA-N
XLogP2.76
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564719
2-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565253
2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565215
N-ethyl-2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 114564470
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 114565964
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 114565912
3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 114565668
4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565160
4-N-[1-(diethylamino)propan-2-yl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564798
2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563840
2-methyl-3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 114565854
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280556

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114564720) is 4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCNc1nc(NC(C)COCC)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is RPNRKGFRVNOCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-4-16-11-18-9(12(13,14)15)6-10(19-11)17-8(3)7-20-5-2/h6,8H,4-5,7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 292.31 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114564720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).