5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]pyrimidin-2-amine

C11H17FN4 — CID 104606422

IUPAC5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]pyrimidin-2-amine
SMILESCC1(CNc2ncc(F)cn2)CCCNC1
InChIInChI=1S/C11H17FN4/c1-11(3-2-4-13-7-11)8-16-10-14-5-9(12)6-15-10/h5-6,13H,2-4,7-8H2,1H3,(H,14,15,16)
InChIKeyDXALIXUJTHYFCS-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.42
Rot. Bonds3

About 5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]pyrimidin-2-amine

5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]pyrimidin-2-amine (PubChem CID 104606422) has the molecular formula C11H17FN4 and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]pyrimidin-2-amine
PubChem CID104606422
Molecular FormulaC11H17FN4
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]pyrimidin-2-amine
SMILESCC1(CNc2ncc(F)cn2)CCCNC1
InChIInChI=1S/C11H17FN4/c1-11(3-2-4-13-7-11)8-16-10-14-5-9(12)6-15-10/h5-6,13H,2-4,7-8H2,1H3,(H,14,15,16)
InChIKeyDXALIXUJTHYFCS-UHFFFAOYSA-N
XLogP1.42
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]pyrimidin-2-amine (CID 104606422) is 5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]pyrimidin-2-amine is CC1(CNc2ncc(F)cn2)CCCNC1.
What is the InChIKey of 5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is DXALIXUJTHYFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4/c1-11(3-2-4-13-7-11)8-16-10-14-5-9(12)6-15-10/h5-6,13H,2-4,7-8H2,1H3,(H,14,15,16).
What are the key properties of 5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]pyrimidin-2-amine?
5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 224.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 104606422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).