5-fluoro-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine

C12H18FN3O — CID 80680622

IUPAC5-fluoro-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
SMILESCNc1nc(C2(C)CCCCO2)nc(C)c1F
InChIInChI=1S/C12H18FN3O/c1-8-9(13)10(14-3)16-11(15-8)12(2)6-4-5-7-17-12/h4-7H2,1-3H3,(H,14,15,16)
InChIKeyWAESJILNBJQHJT-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.38
Rot. Bonds2

About 5-fluoro-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine

5-fluoro-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine (PubChem CID 80680622) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 5-fluoro-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
PubChem CID80680622
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name5-fluoro-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
SMILESCNc1nc(C2(C)CCCCO2)nc(C)c1F
InChIInChI=1S/C12H18FN3O/c1-8-9(13)10(14-3)16-11(15-8)12(2)6-4-5-7-17-12/h4-7H2,1-3H3,(H,14,15,16)
InChIKeyWAESJILNBJQHJT-UHFFFAOYSA-N
XLogP2.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.38
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-(2-methyloxan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine (CID 80680622) is 5-fluoro-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine is CNc1nc(C2(C)CCCCO2)nc(C)c1F.
What is the InChIKey of 5-fluoro-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine?
The InChIKey is WAESJILNBJQHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-8-9(13)10(14-3)16-11(15-8)12(2)6-4-5-7-17-12/h4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 5-fluoro-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine?
5-fluoro-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine has a molecular weight of 239.29 g/mol, XLogP of 2.38, 2 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-(2-methyloxan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80680622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).