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

C9H13FN4O — CID 80824697

IUPAC5-fluoro-4-N-(oxolan-3-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NCC2CCOC2)n1
InChIInChI=1S/C9H13FN4O/c10-7-4-13-9(11)14-8(7)12-3-6-1-2-15-5-6/h4,6H,1-3,5H2,(H3,11,12,13,14)
InChIKeyOAUYJVLBVKFIDT-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.65
Rot. Bonds3

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

5-fluoro-4-N-(oxolan-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80824697) has the molecular formula C9H13FN4O and a molecular weight of 212.23 g/mol. Its IUPAC name is 5-fluoro-4-N-(oxolan-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(oxolan-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80824697
Molecular FormulaC9H13FN4O
Molecular Weight212.23 g/mol
Exact Mass212.11
IUPAC Name5-fluoro-4-N-(oxolan-3-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NCC2CCOC2)n1
InChIInChI=1S/C9H13FN4O/c10-7-4-13-9(11)14-8(7)12-3-6-1-2-15-5-6/h4,6H,1-3,5H2,(H3,11,12,13,14)
InChIKeyOAUYJVLBVKFIDT-UHFFFAOYSA-N
XLogP0.65
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.65
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-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(oxolan-3-ylmethyl)pyrimidine-2,4-diamine (CID 80824697) is 5-fluoro-4-N-(oxolan-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(oxolan-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(oxolan-3-ylmethyl)pyrimidine-2,4-diamine is Nc1ncc(F)c(NCC2CCOC2)n1.
What is the InChIKey of 5-fluoro-4-N-(oxolan-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is OAUYJVLBVKFIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O/c10-7-4-13-9(11)14-8(7)12-3-6-1-2-15-5-6/h4,6H,1-3,5H2,(H3,11,12,13,14).
What are the key properties of 5-fluoro-4-N-(oxolan-3-ylmethyl)pyrimidine-2,4-diamine?
5-fluoro-4-N-(oxolan-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 212.23 g/mol, XLogP of 0.65, 3 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-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80824697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).