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

C10H16FN5O — CID 80777963

IUPAC5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NCCN2CCOCC2)n1
InChIInChI=1S/C10H16FN5O/c11-8-7-14-10(12)15-9(8)13-1-2-16-3-5-17-6-4-16/h7H,1-6H2,(H3,12,13,14,15)
InChIKeyCXELCCSAZVSRJG-UHFFFAOYSA-N
MW241.27 g/mol
LogP-0.06
Rot. Bonds4

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

5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 80777963) has the molecular formula C10H16FN5O and a molecular weight of 241.27 g/mol. Its IUPAC name is 5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID80777963
Molecular FormulaC10H16FN5O
Molecular Weight241.27 g/mol
Exact Mass241.13
IUPAC Name5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NCCN2CCOCC2)n1
InChIInChI=1S/C10H16FN5O/c11-8-7-14-10(12)15-9(8)13-1-2-16-3-5-17-6-4-16/h7H,1-6H2,(H3,12,13,14,15)
InChIKeyCXELCCSAZVSRJG-UHFFFAOYSA-N
XLogP-0.06
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (CID 80777963) is 5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is Nc1ncc(F)c(NCCN2CCOCC2)n1.
What is the InChIKey of 5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is CXELCCSAZVSRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN5O/c11-8-7-14-10(12)15-9(8)13-1-2-16-3-5-17-6-4-16/h7H,1-6H2,(H3,12,13,14,15).
What are the key properties of 5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 241.27 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80777963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).