6-ethyl-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine

C13H20FN3O — CID 84592103

IUPAC6-ethyl-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
SMILESCCc1ncnc(N(C)CC2CCCCO2)c1F
InChIInChI=1S/C13H20FN3O/c1-3-11-12(14)13(16-9-15-11)17(2)8-10-6-4-5-7-18-10/h9-10H,3-8H2,1-2H3
InChIKeyLWGYYZVZYXEXGA-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.18
Rot. Bonds4

About 6-ethyl-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine

6-ethyl-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 84592103) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
PubChem CID84592103
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name6-ethyl-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
SMILESCCc1ncnc(N(C)CC2CCCCO2)c1F
InChIInChI=1S/C13H20FN3O/c1-3-11-12(14)13(16-9-15-11)17(2)8-10-6-4-5-7-18-10/h9-10H,3-8H2,1-2H3
InChIKeyLWGYYZVZYXEXGA-UHFFFAOYSA-N
XLogP2.18
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine (CID 84592103) is 6-ethyl-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine is CCc1ncnc(N(C)CC2CCCCO2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is LWGYYZVZYXEXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-3-11-12(14)13(16-9-15-11)17(2)8-10-6-4-5-7-18-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 6-ethyl-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine?
6-ethyl-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 253.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 84592103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).