5-fluoro-N,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine

C11H16FN3O — CID 103987826

IUPAC5-fluoro-N,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
SMILESCNc1nc(CC2CCOC2)nc(C)c1F
InChIInChI=1S/C11H16FN3O/c1-7-10(12)11(13-2)15-9(14-7)5-8-3-4-16-6-8/h8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyGTSKHPPCULALRR-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.54
Rot. Bonds3

About 5-fluoro-N,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine

5-fluoro-N,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 103987826) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-fluoro-N,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
PubChem CID103987826
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name5-fluoro-N,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
SMILESCNc1nc(CC2CCOC2)nc(C)c1F
InChIInChI=1S/C11H16FN3O/c1-7-10(12)11(13-2)15-9(14-7)5-8-3-4-16-6-8/h8H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyGTSKHPPCULALRR-UHFFFAOYSA-N
XLogP1.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine (CID 103987826) is 5-fluoro-N,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine is CNc1nc(CC2CCOC2)nc(C)c1F.
What is the InChIKey of 5-fluoro-N,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is GTSKHPPCULALRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7-10(12)11(13-2)15-9(14-7)5-8-3-4-16-6-8/h8H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 5-fluoro-N,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine?
5-fluoro-N,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 225.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 103987826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).