4-N-ethyl-4-N-(2-ethylbutyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine

C15H27FN4 — CID 80799829

IUPAC4-N-ethyl-4-N-(2-ethylbutyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(CC)CC(CC)CC)n1
InChIInChI=1S/C15H27FN4/c1-5-9-17-15-18-10-13(16)14(19-15)20(8-4)11-12(6-2)7-3/h10,12H,5-9,11H2,1-4H3,(H,17,18,19)
InChIKeyIITGILIDKSQXLN-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.70
Rot. Bonds9

About 4-N-ethyl-4-N-(2-ethylbutyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine

4-N-ethyl-4-N-(2-ethylbutyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80799829) has the molecular formula C15H27FN4 and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(2-ethylbutyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(2-ethylbutyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
PubChem CID80799829
Molecular FormulaC15H27FN4
Molecular Weight282.41 g/mol
Exact Mass282.22
IUPAC Name4-N-ethyl-4-N-(2-ethylbutyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(CC)CC(CC)CC)n1
InChIInChI=1S/C15H27FN4/c1-5-9-17-15-18-10-13(16)14(19-15)20(8-4)11-12(6-2)7-3/h10,12H,5-9,11H2,1-4H3,(H,17,18,19)
InChIKeyIITGILIDKSQXLN-UHFFFAOYSA-N
XLogP3.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butan-2-yl-4-N-ethyl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80782815
5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
4-N-ethyl-5-fluoro-2-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80799062
5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80792326
5-fluoro-4-N-methyl-4-N-pentan-2-yl-2-N-propylpyrimidine-2,4-diamine
CID 80792483
4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80799138
5-chloro-2-N,4-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-2,4-diamine
CID 80799979
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557000
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80809891
4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80767009
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80848537
4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80795202

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(2-ethylbutyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(2-ethylbutyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine (CID 80799829) is 4-N-ethyl-4-N-(2-ethylbutyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(2-ethylbutyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(2-ethylbutyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(N(CC)CC(CC)CC)n1.
What is the InChIKey of 4-N-ethyl-4-N-(2-ethylbutyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is IITGILIDKSQXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN4/c1-5-9-17-15-18-10-13(16)14(19-15)20(8-4)11-12(6-2)7-3/h10,12H,5-9,11H2,1-4H3,(H,17,18,19).
What are the key properties of 4-N-ethyl-4-N-(2-ethylbutyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
4-N-ethyl-4-N-(2-ethylbutyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 282.41 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(2-ethylbutyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80799829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).