4-chloro-5-fluoro-6-(3-methylpiperidin-1-yl)pyrimidine

C10H13ClFN3 — CID 142964899

IUPAC4-chloro-5-fluoro-6-(3-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCCN(c2ncnc(Cl)c2F)C1
InChIInChI=1S/C10H13ClFN3/c1-7-3-2-4-15(5-7)10-8(12)9(11)13-6-14-10/h6-7H,2-5H2,1H3
InChIKeyDMMXGOOCLAYEOI-UHFFFAOYSA-N
MW229.69 g/mol
LogP2.51
Rot. Bonds1

About 4-chloro-5-fluoro-6-(3-methylpiperidin-1-yl)pyrimidine

4-chloro-5-fluoro-6-(3-methylpiperidin-1-yl)pyrimidine (PubChem CID 142964899) has the molecular formula C10H13ClFN3 and a molecular weight of 229.69 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-(3-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-(3-methylpiperidin-1-yl)pyrimidine
PubChem CID142964899
Molecular FormulaC10H13ClFN3
Molecular Weight229.69 g/mol
Exact Mass229.08
IUPAC Name4-chloro-5-fluoro-6-(3-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCCN(c2ncnc(Cl)c2F)C1
InChIInChI=1S/C10H13ClFN3/c1-7-3-2-4-15(5-7)10-8(12)9(11)13-6-14-10/h6-7H,2-5H2,1H3
InChIKeyDMMXGOOCLAYEOI-UHFFFAOYSA-N
XLogP2.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-(3-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-5-fluoro-6-(3-methylpiperidin-1-yl)pyrimidine (CID 142964899) is 4-chloro-5-fluoro-6-(3-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-6-(3-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-6-(3-methylpiperidin-1-yl)pyrimidine is CC1CCCN(c2ncnc(Cl)c2F)C1.
What is the InChIKey of 4-chloro-5-fluoro-6-(3-methylpiperidin-1-yl)pyrimidine?
The InChIKey is DMMXGOOCLAYEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3/c1-7-3-2-4-15(5-7)10-8(12)9(11)13-6-14-10/h6-7H,2-5H2,1H3.
What are the key properties of 4-chloro-5-fluoro-6-(3-methylpiperidin-1-yl)pyrimidine?
4-chloro-5-fluoro-6-(3-methylpiperidin-1-yl)pyrimidine has a molecular weight of 229.69 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-(3-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 142964899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).