6-fluoro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine

C8H12FN3O — CID 115416424

IUPAC6-fluoro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
SMILESCOCC(C)Nc1cc(F)ncn1
InChIInChI=1S/C8H12FN3O/c1-6(4-13-2)12-8-3-7(9)10-5-11-8/h3,5-6H,4H2,1-2H3,(H,10,11,12)
InChIKeyDHOYAPKKHWQWIC-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.06
Rot. Bonds4

About 6-fluoro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine

6-fluoro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine (PubChem CID 115416424) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 6-fluoro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
PubChem CID115416424
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name6-fluoro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
SMILESCOCC(C)Nc1cc(F)ncn1
InChIInChI=1S/C8H12FN3O/c1-6(4-13-2)12-8-3-7(9)10-5-11-8/h3,5-6H,4H2,1-2H3,(H,10,11,12)
InChIKeyDHOYAPKKHWQWIC-UHFFFAOYSA-N
XLogP1.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine (CID 115416424) is 6-fluoro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine is COCC(C)Nc1cc(F)ncn1.
What is the InChIKey of 6-fluoro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine?
The InChIKey is DHOYAPKKHWQWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-6(4-13-2)12-8-3-7(9)10-5-11-8/h3,5-6H,4H2,1-2H3,(H,10,11,12).
What are the key properties of 6-fluoro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine?
6-fluoro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine has a molecular weight of 185.20 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 115416424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).