5-fluoro-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine

C10H15FN4 — CID 80765030

IUPAC5-fluoro-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCC1CCCN(c2nc(N)ncc2F)C1
InChIInChI=1S/C10H15FN4/c1-7-3-2-4-15(6-7)9-8(11)5-13-10(12)14-9/h5,7H,2-4,6H2,1H3,(H2,12,13,14)
InChIKeySBLZKOHBXJEHQU-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.43
Rot. Bonds1

About 5-fluoro-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine

5-fluoro-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 80765030) has the molecular formula C10H15FN4 and a molecular weight of 210.26 g/mol. Its IUPAC name is 5-fluoro-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID80765030
Molecular FormulaC10H15FN4
Molecular Weight210.26 g/mol
Exact Mass210.13
IUPAC Name5-fluoro-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCC1CCCN(c2nc(N)ncc2F)C1
InChIInChI=1S/C10H15FN4/c1-7-3-2-4-15(6-7)9-8(11)5-13-10(12)14-9/h5,7H,2-4,6H2,1H3,(H2,12,13,14)
InChIKeySBLZKOHBXJEHQU-UHFFFAOYSA-N
XLogP1.43
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine (CID 80765030) is 5-fluoro-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine is CC1CCCN(c2nc(N)ncc2F)C1.
What is the InChIKey of 5-fluoro-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is SBLZKOHBXJEHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4/c1-7-3-2-4-15(6-7)9-8(11)5-13-10(12)14-9/h5,7H,2-4,6H2,1H3,(H2,12,13,14).
What are the key properties of 5-fluoro-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
5-fluoro-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 210.26 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80765030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).