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

C11H18FN5O — CID 80778338

IUPAC5-fluoro-2-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCCN2CCOCC2)n1
InChIInChI=1S/C11H18FN5O/c1-13-11-15-8-9(12)10(16-11)14-2-3-17-4-6-18-7-5-17/h8H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyQBRKERBUASLXEC-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.40
Rot. Bonds5

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

5-fluoro-2-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 80778338) has the molecular formula C11H18FN5O and a molecular weight of 255.30 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID80778338
Molecular FormulaC11H18FN5O
Molecular Weight255.30 g/mol
Exact Mass255.15
IUPAC Name5-fluoro-2-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCCN2CCOCC2)n1
InChIInChI=1S/C11H18FN5O/c1-13-11-15-8-9(12)10(16-11)14-2-3-17-4-6-18-7-5-17/h8H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyQBRKERBUASLXEC-UHFFFAOYSA-N
XLogP0.40
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (CID 80778338) is 5-fluoro-2-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is CNc1ncc(F)c(NCCN2CCOCC2)n1.
What is the InChIKey of 5-fluoro-2-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is QBRKERBUASLXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5O/c1-13-11-15-8-9(12)10(16-11)14-2-3-17-4-6-18-7-5-17/h8H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-fluoro-2-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 255.30 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80778338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).