5-chloro-2,4-difluoro-1,4-dihydropyrimidine

C4H3ClF2N2 — CID 173354233

IUPAC5-chloro-2,4-difluoro-1,4-dihydropyrimidine
SMILESFC1=NC(F)C(Cl)=CN1
InChIInChI=1S/C4H3ClF2N2/c5-2-1-8-4(7)9-3(2)6/h1,3H,(H,8,9)
InChIKeyCKPNHQJYQTZJHQ-UHFFFAOYSA-N
MW152.53 g/mol
LogP1.29
Rot. Bonds

About 5-chloro-2,4-difluoro-1,4-dihydropyrimidine

5-chloro-2,4-difluoro-1,4-dihydropyrimidine (PubChem CID 173354233) has the molecular formula C4H3ClF2N2 and a molecular weight of 152.53 g/mol. Its IUPAC name is 5-chloro-2,4-difluoro-1,4-dihydropyrimidine.

Molecular Properties

Compound Name5-chloro-2,4-difluoro-1,4-dihydropyrimidine
PubChem CID173354233
Molecular FormulaC4H3ClF2N2
Molecular Weight152.53 g/mol
Exact Mass152.00
IUPAC Name5-chloro-2,4-difluoro-1,4-dihydropyrimidine
SMILESFC1=NC(F)C(Cl)=CN1
InChIInChI=1S/C4H3ClF2N2/c5-2-1-8-4(7)9-3(2)6/h1,3H,(H,8,9)
InChIKeyCKPNHQJYQTZJHQ-UHFFFAOYSA-N
XLogP1.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.53
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-difluoro-1,4-dihydropyrimidine?
The IUPAC name of 5-chloro-2,4-difluoro-1,4-dihydropyrimidine (CID 173354233) is 5-chloro-2,4-difluoro-1,4-dihydropyrimidine.
What is the SMILES notation for 5-chloro-2,4-difluoro-1,4-dihydropyrimidine?
The canonical SMILES for 5-chloro-2,4-difluoro-1,4-dihydropyrimidine is FC1=NC(F)C(Cl)=CN1.
What is the InChIKey of 5-chloro-2,4-difluoro-1,4-dihydropyrimidine?
The InChIKey is CKPNHQJYQTZJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClF2N2/c5-2-1-8-4(7)9-3(2)6/h1,3H,(H,8,9).
What are the key properties of 5-chloro-2,4-difluoro-1,4-dihydropyrimidine?
5-chloro-2,4-difluoro-1,4-dihydropyrimidine has a molecular weight of 152.53 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-difluoro-1,4-dihydropyrimidine is sourced from PubChem (CID 173354233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).