2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine

C12H19F3N4 — CID 80935134

IUPAC2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCC(F)(F)F)nc(CC)n1
InChIInChI=1S/C12H19F3N4/c1-3-6-16-10-8-11(19-9(4-2)18-10)17-7-5-12(13,14)15/h8H,3-7H2,1-2H3,(H2,16,17,18,19)
InChIKeyYIWUMNLHPCCDLY-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.23
Rot. Bonds7

About 2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine

2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine (PubChem CID 80935134) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
PubChem CID80935134
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCC(F)(F)F)nc(CC)n1
InChIInChI=1S/C12H19F3N4/c1-3-6-16-10-8-11(19-9(4-2)18-10)17-7-5-12(13,14)15/h8H,3-7H2,1-2H3,(H2,16,17,18,19)
InChIKeyYIWUMNLHPCCDLY-UHFFFAOYSA-N
XLogP3.23
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80935204
2-ethyl-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 80937540
2-ethyl-6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 115523284
2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80935431
2-ethyl-4-N-(3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80935369
2-(methoxymethyl)-6-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 113401488
2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80939677
4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939676
3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80933122
2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80934686
2-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropanamide
CID 80934886
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine (CID 80935134) is 2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine is CCCNc1cc(NCCC(F)(F)F)nc(CC)n1.
What is the InChIKey of 2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The InChIKey is YIWUMNLHPCCDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-3-6-16-10-8-11(19-9(4-2)18-10)17-7-5-12(13,14)15/h8H,3-7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine has a molecular weight of 276.31 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80935134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).