4-(1-ethylimidazol-4-yl)-5-fluoro-N-propylpyrimidin-2-amine

C12H16FN5 — CID 114272833

IUPAC4-(1-ethylimidazol-4-yl)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(-c2cn(CC)cn2)n1
InChIInChI=1S/C12H16FN5/c1-3-5-14-12-15-6-9(13)11(17-12)10-7-18(4-2)8-16-10/h6-8H,3-5H2,1-2H3,(H,14,15,17)
InChIKeyOZELXFQDQSQRHZ-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.32
Rot. Bonds5

About 4-(1-ethylimidazol-4-yl)-5-fluoro-N-propylpyrimidin-2-amine

4-(1-ethylimidazol-4-yl)-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 114272833) has the molecular formula C12H16FN5 and a molecular weight of 249.29 g/mol. Its IUPAC name is 4-(1-ethylimidazol-4-yl)-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-ethylimidazol-4-yl)-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID114272833
Molecular FormulaC12H16FN5
Molecular Weight249.29 g/mol
Exact Mass249.14
IUPAC Name4-(1-ethylimidazol-4-yl)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(-c2cn(CC)cn2)n1
InChIInChI=1S/C12H16FN5/c1-3-5-14-12-15-6-9(13)11(17-12)10-7-18(4-2)8-16-10/h6-8H,3-5H2,1-2H3,(H,14,15,17)
InChIKeyOZELXFQDQSQRHZ-UHFFFAOYSA-N
XLogP2.32
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-propylpyrimidin-2-amine
CID 115505267
5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
4-(3,5-diethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 82699570
4-butyl-5-fluoro-N-propylpyrimidin-2-amine
CID 106659320
5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80767954
N-ethyl-5-fluoro-4-(3-propylphenyl)pyrimidin-2-amine
CID 116546100
4-N-ethyl-4-N-(2-ethylbutyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80799829
4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 80764245
4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 114735047
4-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 112744136
N-ethyl-5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-amine
CID 113482956
4-N-butan-2-yl-4-N-ethyl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80782815

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylimidazol-4-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(1-ethylimidazol-4-yl)-5-fluoro-N-propylpyrimidin-2-amine (CID 114272833) is 4-(1-ethylimidazol-4-yl)-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(1-ethylimidazol-4-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(1-ethylimidazol-4-yl)-5-fluoro-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(-c2cn(CC)cn2)n1.
What is the InChIKey of 4-(1-ethylimidazol-4-yl)-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is OZELXFQDQSQRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5/c1-3-5-14-12-15-6-9(13)11(17-12)10-7-18(4-2)8-16-10/h6-8H,3-5H2,1-2H3,(H,14,15,17).
What are the key properties of 4-(1-ethylimidazol-4-yl)-5-fluoro-N-propylpyrimidin-2-amine?
4-(1-ethylimidazol-4-yl)-5-fluoro-N-propylpyrimidin-2-amine has a molecular weight of 249.29 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylimidazol-4-yl)-5-fluoro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 114272833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).