2-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine

C8H14FN5 — CID 67095980

IUPAC2-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(NCCN)nc(C)c1F
InChIInChI=1S/C8H14FN5/c1-5-6(9)7(11-2)14-8(13-5)12-4-3-10/h3-4,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyQSLIKSREBZHYFM-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.34
Rot. Bonds4

About 2-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine

2-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 67095980) has the molecular formula C8H14FN5 and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID67095980
Molecular FormulaC8H14FN5
Molecular Weight199.23 g/mol
Exact Mass199.12
IUPAC Name2-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(NCCN)nc(C)c1F
InChIInChI=1S/C8H14FN5/c1-5-6(9)7(11-2)14-8(13-5)12-4-3-10/h3-4,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyQSLIKSREBZHYFM-UHFFFAOYSA-N
XLogP0.34
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine (CID 67095980) is 2-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine is CNc1nc(NCCN)nc(C)c1F.
What is the InChIKey of 2-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is QSLIKSREBZHYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN5/c1-5-6(9)7(11-2)14-8(13-5)12-4-3-10/h3-4,10H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine?
2-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 199.23 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 67095980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).