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

C12H20FN5O — CID 80778340

IUPAC2-N-ethyl-5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCCN2CCOCC2)n1
InChIInChI=1S/C12H20FN5O/c1-2-14-12-16-9-10(13)11(17-12)15-3-4-18-5-7-19-8-6-18/h9H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyRJEZPILRPGXOSR-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.79
Rot. Bonds6

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

2-N-ethyl-5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 80778340) has the molecular formula C12H20FN5O and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-N-ethyl-5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID80778340
Molecular FormulaC12H20FN5O
Molecular Weight269.32 g/mol
Exact Mass269.17
IUPAC Name2-N-ethyl-5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCCN2CCOCC2)n1
InChIInChI=1S/C12H20FN5O/c1-2-14-12-16-9-10(13)11(17-12)15-3-4-18-5-7-19-8-6-18/h9H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyRJEZPILRPGXOSR-UHFFFAOYSA-N
XLogP0.79
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.79
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-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (CID 80778340) is 2-N-ethyl-5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is CCNc1ncc(F)c(NCCN2CCOCC2)n1.
What is the InChIKey of 2-N-ethyl-5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is RJEZPILRPGXOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN5O/c1-2-14-12-16-9-10(13)11(17-12)15-3-4-18-5-7-19-8-6-18/h9H,2-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-N-ethyl-5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
2-N-ethyl-5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 269.32 g/mol, XLogP of 0.79, 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-morpholin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80778340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).