2-chloro-4-(furan-3-yl)pyrimidine

C8H5ClN2O — CID 14745028

IUPAC2-chloro-4-(furan-3-yl)pyrimidine
SMILESClc1nccc(-c2ccoc2)n1
InChIInChI=1S/C8H5ClN2O/c9-8-10-3-1-7(11-8)6-2-4-12-5-6/h1-5H
InChIKeyBECZUXNGJBNYHP-UHFFFAOYSA-N
MW180.59 g/mol
LogP2.39
Rot. Bonds1

About 2-chloro-4-(furan-3-yl)pyrimidine

2-chloro-4-(furan-3-yl)pyrimidine (PubChem CID 14745028) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 2-chloro-4-(furan-3-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(furan-3-yl)pyrimidine
PubChem CID14745028
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name2-chloro-4-(furan-3-yl)pyrimidine
SMILESClc1nccc(-c2ccoc2)n1
InChIInChI=1S/C8H5ClN2O/c9-8-10-3-1-7(11-8)6-2-4-12-5-6/h1-5H
InChIKeyBECZUXNGJBNYHP-UHFFFAOYSA-N
XLogP2.39
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Furyl)-2-(4-pyridinyl)pyrimidine
CID 1485448
2-Furan-3-yl-5-imidazol-1-ylmethyl-pyridine
CID 57329785
N-benzyl-5-(furan-3-yl)pyrimidin-4-amine
CID 3232979
5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 3233460
N-(4-fluorophenyl)-5-(furan-3-yl)pyrimidin-4-amine
CID 3233619
N-cyclopropyl-5-(furan-3-yl)pyrimidin-4-amine
CID 3233771
6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3234243
4-Chloro-6-furan-3-yl-2-(4-methyl-piperazin-1-yl)-pyrimidine
CID 10107625
4-Furan-3-yl-6-methyl-2-(4-methyl-piperazin-1-yl)-pyrimidine
CID 44289415
4-Furan-3-yl-2-(4-methyl-piperazin-1-yl)-pyrimidine
CID 44289422
4-Ethyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
CID 132525569
4-Butyl-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
CID 132525570

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(furan-3-yl)pyrimidine?
The IUPAC name of 2-chloro-4-(furan-3-yl)pyrimidine (CID 14745028) is 2-chloro-4-(furan-3-yl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(furan-3-yl)pyrimidine?
The canonical SMILES for 2-chloro-4-(furan-3-yl)pyrimidine is Clc1nccc(-c2ccoc2)n1.
What is the InChIKey of 2-chloro-4-(furan-3-yl)pyrimidine?
The InChIKey is BECZUXNGJBNYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-8-10-3-1-7(11-8)6-2-4-12-5-6/h1-5H.
What are the key properties of 2-chloro-4-(furan-3-yl)pyrimidine?
2-chloro-4-(furan-3-yl)pyrimidine has a molecular weight of 180.59 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(furan-3-yl)pyrimidine is sourced from PubChem (CID 14745028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).