5-fluoro-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine

C8H11FN4O — CID 80854188

IUPAC5-fluoro-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NC2CCOC2)n1
InChIInChI=1S/C8H11FN4O/c9-6-3-11-8(10)13-7(6)12-5-1-2-14-4-5/h3,5H,1-2,4H2,(H3,10,11,12,13)
InChIKeyQYPNKHRQSVSMLB-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.40
Rot. Bonds2

About 5-fluoro-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine

5-fluoro-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine (PubChem CID 80854188) has the molecular formula C8H11FN4O and a molecular weight of 198.20 g/mol. Its IUPAC name is 5-fluoro-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
PubChem CID80854188
Molecular FormulaC8H11FN4O
Molecular Weight198.20 g/mol
Exact Mass198.09
IUPAC Name5-fluoro-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NC2CCOC2)n1
InChIInChI=1S/C8H11FN4O/c9-6-3-11-8(10)13-7(6)12-5-1-2-14-4-5/h3,5H,1-2,4H2,(H3,10,11,12,13)
InChIKeyQYPNKHRQSVSMLB-UHFFFAOYSA-N
XLogP0.40
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.40
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-(oxolan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine (CID 80854188) is 5-fluoro-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine is Nc1ncc(F)c(NC2CCOC2)n1.
What is the InChIKey of 5-fluoro-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is QYPNKHRQSVSMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O/c9-6-3-11-8(10)13-7(6)12-5-1-2-14-4-5/h3,5H,1-2,4H2,(H3,10,11,12,13).
What are the key properties of 5-fluoro-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine?
5-fluoro-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine has a molecular weight of 198.20 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80854188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).