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

C10H11Cl2F2N3 — CID 146171974

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

4,5-dichloro-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]pyrimidine (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 Name4,5-dichloro-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]pyrimidine
PubChem CID146171974
Molecular FormulaC10H11Cl2F2N3
Molecular Weight282.12 g/mol
Exact Mass281.03
IUPAC Name4,5-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
XLogP3.26
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]pyrimidine?
The IUPAC name of 4,5-dichloro-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]pyrimidine (CID 146171974) is 4,5-dichloro-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]pyrimidine.
What is the SMILES notation for 4,5-dichloro-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]pyrimidine?
The canonical SMILES for 4,5-dichloro-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]pyrimidine is C[C@H]1CN(c2ncc(Cl)c(Cl)n2)CCC1(F)F.
What is the InChIKey of 4,5-dichloro-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]pyrimidine?
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 4,5-dichloro-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]pyrimidine?
4,5-dichloro-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]pyrimidine 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 4,5-dichloro-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]pyrimidine is sourced from PubChem (CID 146171974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).