2,4-dichloro-5-cyclopropyl-1,4-dihydropyrimidine

C7H8Cl2N2 — CID 123826437

IUPAC2,4-dichloro-5-cyclopropyl-1,4-dihydropyrimidine
SMILESClC1=NC(Cl)C(C2CC2)=CN1
InChIInChI=1S/C7H8Cl2N2/c8-6-5(4-1-2-4)3-10-7(9)11-6/h3-4,6H,1-2H2,(H,10,11)
InChIKeyAIPXZKJGSBAFIF-UHFFFAOYSA-N
MW191.06 g/mol
LogP2.04
Rot. Bonds1

About 2,4-dichloro-5-cyclopropyl-1,4-dihydropyrimidine

2,4-dichloro-5-cyclopropyl-1,4-dihydropyrimidine (PubChem CID 123826437) has the molecular formula C7H8Cl2N2 and a molecular weight of 191.06 g/mol. Its IUPAC name is 2,4-dichloro-5-cyclopropyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-cyclopropyl-1,4-dihydropyrimidine
PubChem CID123826437
Molecular FormulaC7H8Cl2N2
Molecular Weight191.06 g/mol
Exact Mass190.01
IUPAC Name2,4-dichloro-5-cyclopropyl-1,4-dihydropyrimidine
SMILESClC1=NC(Cl)C(C2CC2)=CN1
InChIInChI=1S/C7H8Cl2N2/c8-6-5(4-1-2-4)3-10-7(9)11-6/h3-4,6H,1-2H2,(H,10,11)
InChIKeyAIPXZKJGSBAFIF-UHFFFAOYSA-N
XLogP2.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dichloro-5-ethyl-1,4-dihydropyrimidine
CID 145438720

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-cyclopropyl-1,4-dihydropyrimidine?
The IUPAC name of 2,4-dichloro-5-cyclopropyl-1,4-dihydropyrimidine (CID 123826437) is 2,4-dichloro-5-cyclopropyl-1,4-dihydropyrimidine.
What is the SMILES notation for 2,4-dichloro-5-cyclopropyl-1,4-dihydropyrimidine?
The canonical SMILES for 2,4-dichloro-5-cyclopropyl-1,4-dihydropyrimidine is ClC1=NC(Cl)C(C2CC2)=CN1.
What is the InChIKey of 2,4-dichloro-5-cyclopropyl-1,4-dihydropyrimidine?
The InChIKey is AIPXZKJGSBAFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2/c8-6-5(4-1-2-4)3-10-7(9)11-6/h3-4,6H,1-2H2,(H,10,11).
What are the key properties of 2,4-dichloro-5-cyclopropyl-1,4-dihydropyrimidine?
2,4-dichloro-5-cyclopropyl-1,4-dihydropyrimidine has a molecular weight of 191.06 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-cyclopropyl-1,4-dihydropyrimidine is sourced from PubChem (CID 123826437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).