4-chloro-6-(furan-3-yl)-2-methylpyrimidine

C9H7ClN2O — CID 22343605

IUPAC4-chloro-6-(furan-3-yl)-2-methylpyrimidine
SMILESCc1nc(Cl)cc(-c2ccoc2)n1
InChIInChI=1S/C9H7ClN2O/c1-6-11-8(4-9(10)12-6)7-2-3-13-5-7/h2-5H,1H3
InChIKeyYBTQOWJPYZJAGG-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.70
Rot. Bonds1

About 4-chloro-6-(furan-3-yl)-2-methylpyrimidine

4-chloro-6-(furan-3-yl)-2-methylpyrimidine (PubChem CID 22343605) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 4-chloro-6-(furan-3-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(furan-3-yl)-2-methylpyrimidine
PubChem CID22343605
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name4-chloro-6-(furan-3-yl)-2-methylpyrimidine
SMILESCc1nc(Cl)cc(-c2ccoc2)n1
InChIInChI=1S/C9H7ClN2O/c1-6-11-8(4-9(10)12-6)7-2-3-13-5-7/h2-5H,1H3
InChIKeyYBTQOWJPYZJAGG-UHFFFAOYSA-N
XLogP2.70
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-2,6-difuran-3-yl)pyrimidin-4-yl)acetamide
CID 50940966
N-2,6-difuran-3-yl)pyrimidin-4-yl)propionamide
CID 50940980
N-2,6-difuran-3-yl)pyrimidin-4-yl)butyramide
CID 50941007
1-[5-Chloro-4-(furan-3-yl)-6-methylpyrimidin-2-yl]-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 168299423
4-(Furan-3-yl)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 3233506
6-(furan-3-yl)-N-phenylpyrimidin-4-amine
CID 3235386
N-benzyl-6-(furan-3-yl)pyrimidin-4-amine
CID 3235488
2-[3-(Dimethylamino)propyl]-1-[4-(furan-3-yl)-6-methylpyrimidin-2-yl]guanidine
CID 168298554
4-Chloro-6-(3-furyl)-2-methylpyrimidine
CID 65645017

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(furan-3-yl)-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-(furan-3-yl)-2-methylpyrimidine (CID 22343605) is 4-chloro-6-(furan-3-yl)-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(furan-3-yl)-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(furan-3-yl)-2-methylpyrimidine is Cc1nc(Cl)cc(-c2ccoc2)n1.
What is the InChIKey of 4-chloro-6-(furan-3-yl)-2-methylpyrimidine?
The InChIKey is YBTQOWJPYZJAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-6-11-8(4-9(10)12-6)7-2-3-13-5-7/h2-5H,1H3.
What are the key properties of 4-chloro-6-(furan-3-yl)-2-methylpyrimidine?
4-chloro-6-(furan-3-yl)-2-methylpyrimidine has a molecular weight of 194.62 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(furan-3-yl)-2-methylpyrimidine is sourced from PubChem (CID 22343605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).