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

C13H22FN5O — CID 80776838

IUPAC5-fluoro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCCN2CCOCC2)n1
InChIInChI=1S/C13H22FN5O/c1-2-3-16-13-17-10-11(14)12(18-13)15-4-5-19-6-8-20-9-7-19/h10H,2-9H2,1H3,(H2,15,16,17,18)
InChIKeyKPNNEWPCDMCDFH-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.18
Rot. Bonds7

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

5-fluoro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80776838) has the molecular formula C13H22FN5O and a molecular weight of 283.35 g/mol. Its IUPAC name is 5-fluoro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80776838
Molecular FormulaC13H22FN5O
Molecular Weight283.35 g/mol
Exact Mass283.18
IUPAC Name5-fluoro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCCN2CCOCC2)n1
InChIInChI=1S/C13H22FN5O/c1-2-3-16-13-17-10-11(14)12(18-13)15-4-5-19-6-8-20-9-7-19/h10H,2-9H2,1H3,(H2,15,16,17,18)
InChIKeyKPNNEWPCDMCDFH-UHFFFAOYSA-N
XLogP1.18
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.18
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)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine (CID 80776838) is 5-fluoro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(NCCN2CCOCC2)n1.
What is the InChIKey of 5-fluoro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is KPNNEWPCDMCDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN5O/c1-2-3-16-13-17-10-11(14)12(18-13)15-4-5-19-6-8-20-9-7-19/h10H,2-9H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-fluoro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine?
5-fluoro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 283.35 g/mol, XLogP of 1.18, 7 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)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80776838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).