6-ethyl-5-fluoro-N-(2-methoxypropyl)pyrimidin-4-amine

C10H16FN3O — CID 102809658

IUPAC6-ethyl-5-fluoro-N-(2-methoxypropyl)pyrimidin-4-amine
SMILESCCc1ncnc(NCC(C)OC)c1F
InChIInChI=1S/C10H16FN3O/c1-4-8-9(11)10(14-6-13-8)12-5-7(2)15-3/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyOSXGGRODFKYARW-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.62
Rot. Bonds5

About 6-ethyl-5-fluoro-N-(2-methoxypropyl)pyrimidin-4-amine

6-ethyl-5-fluoro-N-(2-methoxypropyl)pyrimidin-4-amine (PubChem CID 102809658) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-(2-methoxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-(2-methoxypropyl)pyrimidin-4-amine
PubChem CID102809658
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name6-ethyl-5-fluoro-N-(2-methoxypropyl)pyrimidin-4-amine
SMILESCCc1ncnc(NCC(C)OC)c1F
InChIInChI=1S/C10H16FN3O/c1-4-8-9(11)10(14-6-13-8)12-5-7(2)15-3/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyOSXGGRODFKYARW-UHFFFAOYSA-N
XLogP1.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-(2-methoxypropyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-(2-methoxypropyl)pyrimidin-4-amine (CID 102809658) is 6-ethyl-5-fluoro-N-(2-methoxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-(2-methoxypropyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-(2-methoxypropyl)pyrimidin-4-amine is CCc1ncnc(NCC(C)OC)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-(2-methoxypropyl)pyrimidin-4-amine?
The InChIKey is OSXGGRODFKYARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O/c1-4-8-9(11)10(14-6-13-8)12-5-7(2)15-3/h6-7H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 6-ethyl-5-fluoro-N-(2-methoxypropyl)pyrimidin-4-amine?
6-ethyl-5-fluoro-N-(2-methoxypropyl)pyrimidin-4-amine has a molecular weight of 213.26 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-(2-methoxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 102809658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).