4-fluoro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine

C12H18FN3 — CID 103500954

IUPAC4-fluoro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
SMILESCC(C)C1CCN(c2cc(F)ncn2)CC1
InChIInChI=1S/C12H18FN3/c1-9(2)10-3-5-16(6-4-10)12-7-11(13)14-8-15-12/h7-10H,3-6H2,1-2H3
InChIKeyPLZGGCUJBZWIAX-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.49
Rot. Bonds2

About 4-fluoro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine

4-fluoro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine (PubChem CID 103500954) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-fluoro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
PubChem CID103500954
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name4-fluoro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
SMILESCC(C)C1CCN(c2cc(F)ncn2)CC1
InChIInChI=1S/C12H18FN3/c1-9(2)10-3-5-16(6-4-10)12-7-11(13)14-8-15-12/h7-10H,3-6H2,1-2H3
InChIKeyPLZGGCUJBZWIAX-UHFFFAOYSA-N
XLogP2.49
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-fluoro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine (CID 103500954) is 4-fluoro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-fluoro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-fluoro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine is CC(C)C1CCN(c2cc(F)ncn2)CC1.
What is the InChIKey of 4-fluoro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The InChIKey is PLZGGCUJBZWIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-9(2)10-3-5-16(6-4-10)12-7-11(13)14-8-15-12/h7-10H,3-6H2,1-2H3.
What are the key properties of 4-fluoro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
4-fluoro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine has a molecular weight of 223.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 103500954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).