CPJBKHCKULEQES-LURJTMIESA-N

Name: CPJBKHCKULEQES-LURJTMIESA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₁Cl₂F₂N₃ — CID 146171974

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4,5-dichloro-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]pyrimidine

SMILESC[C@H]1CN(c2ncc(Cl)c(Cl)n2)CCC1(F)F

InChIInChI=1S/C10H11Cl2F2N3/c1-6-5-17(3-2-10(6,13)14)9-15-4-7(11)8(12)16-9/h4,6H,2-3,5H2,1H3/t6-/m0/s1

InChIKeyCPJBKHCKULEQES-LURJTMIESA-N

MW282.12 g/mol

LogP3.26

Rot. Bonds1

About CPJBKHCKULEQES-LURJTMIESA-N

CPJBKHCKULEQES-LURJTMIESA-N (PubChem CID 146171974) has the molecular formula C₁₀H₁₁Cl₂F₂N₃ and a molecular weight of 282.12 g/mol. Its IUPAC name is 4,5-dichloro-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name	CPJBKHCKULEQES-LURJTMIESA-N
PubChem CID	146171974
Molecular Formula	C₁₀H₁₁Cl₂F₂N₃
Molecular Weight	282.12 g/mol
Exact Mass	281.03
IUPAC Name	4,5-dichloro-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]pyrimidine
SMILES	C[C@H]1CN(c2ncc(Cl)c(Cl)n2)CCC1(F)F
InChI	InChI=1S/C10H11Cl2F2N3/c1-6-5-17(3-2-10(6,13)14)9-15-4-7(11)8(12)16-9/h4,6H,2-3,5H2,1H3/t6-/m0/s1
InChIKey	CPJBKHCKULEQES-LURJTMIESA-N
XLogP	3.26
TPSA	29.02 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	1
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.12
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of CPJBKHCKULEQES-LURJTMIESA-N?

The IUPAC name of CPJBKHCKULEQES-LURJTMIESA-N (CID 146171974) is 4,5-dichloro-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]pyrimidine.

What is the SMILES notation for CPJBKHCKULEQES-LURJTMIESA-N?

The canonical SMILES for CPJBKHCKULEQES-LURJTMIESA-N is C[C@H]1CN(c2ncc(Cl)c(Cl)n2)CCC1(F)F.

What is the InChIKey of CPJBKHCKULEQES-LURJTMIESA-N?

The InChIKey is CPJBKHCKULEQES-LURJTMIESA-N. The full InChI is InChI=1S/C10H11Cl2F2N3/c1-6-5-17(3-2-10(6,13)14)9-15-4-7(11)8(12)16-9/h4,6H,2-3,5H2,1H3/t6-/m0/s1.

What are the key properties of CPJBKHCKULEQES-LURJTMIESA-N?

CPJBKHCKULEQES-LURJTMIESA-N has a molecular weight of 282.12 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for CPJBKHCKULEQES-LURJTMIESA-N is sourced from PubChem (CID 146171974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 146171974 — identifiers, structure, computed properties (public domain)

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