2-N-ethyl-5-fluoro-4-N-(2-imidazol-1-ylethyl)pyrimidine-2,4-diamine

C11H15FN6 — CID 80803347

IUPAC2-N-ethyl-5-fluoro-4-N-(2-imidazol-1-ylethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCCn2ccnc2)n1
InChIInChI=1S/C11H15FN6/c1-2-14-11-16-7-9(12)10(17-11)15-4-6-18-5-3-13-8-18/h3,5,7-8H,2,4,6H2,1H3,(H2,14,15,16,17)
InChIKeyIFSCONNEPWBZKA-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.36
Rot. Bonds6

About 2-N-ethyl-5-fluoro-4-N-(2-imidazol-1-ylethyl)pyrimidine-2,4-diamine

2-N-ethyl-5-fluoro-4-N-(2-imidazol-1-ylethyl)pyrimidine-2,4-diamine (PubChem CID 80803347) has the molecular formula C11H15FN6 and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-N-ethyl-5-fluoro-4-N-(2-imidazol-1-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-fluoro-4-N-(2-imidazol-1-ylethyl)pyrimidine-2,4-diamine
PubChem CID80803347
Molecular FormulaC11H15FN6
Molecular Weight250.28 g/mol
Exact Mass250.13
IUPAC Name2-N-ethyl-5-fluoro-4-N-(2-imidazol-1-ylethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCCn2ccnc2)n1
InChIInChI=1S/C11H15FN6/c1-2-14-11-16-7-9(12)10(17-11)15-4-6-18-5-3-13-8-18/h3,5,7-8H,2,4,6H2,1H3,(H2,14,15,16,17)
InChIKeyIFSCONNEPWBZKA-UHFFFAOYSA-N
XLogP1.36
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-fluoro-4-N-(2-imidazol-1-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-fluoro-4-N-(2-imidazol-1-ylethyl)pyrimidine-2,4-diamine (CID 80803347) is 2-N-ethyl-5-fluoro-4-N-(2-imidazol-1-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-fluoro-4-N-(2-imidazol-1-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-fluoro-4-N-(2-imidazol-1-ylethyl)pyrimidine-2,4-diamine is CCNc1ncc(F)c(NCCn2ccnc2)n1.
What is the InChIKey of 2-N-ethyl-5-fluoro-4-N-(2-imidazol-1-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is IFSCONNEPWBZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN6/c1-2-14-11-16-7-9(12)10(17-11)15-4-6-18-5-3-13-8-18/h3,5,7-8H,2,4,6H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-N-ethyl-5-fluoro-4-N-(2-imidazol-1-ylethyl)pyrimidine-2,4-diamine?
2-N-ethyl-5-fluoro-4-N-(2-imidazol-1-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 250.28 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-fluoro-4-N-(2-imidazol-1-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80803347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).