5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine

C13H21FN4O — CID 80781603

IUPAC5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NC(C)C2CCCO2)n1
InChIInChI=1S/C13H21FN4O/c1-3-6-15-13-16-8-10(14)12(18-13)17-9(2)11-5-4-7-19-11/h8-9,11H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyQUOHYLJWBCXQQO-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.42
Rot. Bonds6

About 5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine

5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80781603) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID80781603
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Name5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NC(C)C2CCCO2)n1
InChIInChI=1S/C13H21FN4O/c1-3-6-15-13-16-8-10(14)12(18-13)17-9(2)11-5-4-7-19-11/h8-9,11H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyQUOHYLJWBCXQQO-UHFFFAOYSA-N
XLogP2.42
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine (CID 80781603) is 5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(NC(C)C2CCCO2)n1.
What is the InChIKey of 5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is QUOHYLJWBCXQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-3-6-15-13-16-8-10(14)12(18-13)17-9(2)11-5-4-7-19-11/h8-9,11H,3-7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 268.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80781603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).