4-chloro-5-(thiophen-3-ylmethyl)pyrimidine

C9H7ClN2S — CID 139023792

IUPAC4-chloro-5-(thiophen-3-ylmethyl)pyrimidine
SMILESClc1ncncc1Cc1ccsc1
InChIInChI=1S/C9H7ClN2S/c10-9-8(4-11-6-12-9)3-7-1-2-13-5-7/h1-2,4-6H,3H2
InChIKeyVHNFGCFGVXSYSW-UHFFFAOYSA-N
MW210.69 g/mol
LogP2.78
Rot. Bonds2

About 4-chloro-5-(thiophen-3-ylmethyl)pyrimidine

4-chloro-5-(thiophen-3-ylmethyl)pyrimidine (PubChem CID 139023792) has the molecular formula C9H7ClN2S and a molecular weight of 210.69 g/mol. Its IUPAC name is 4-chloro-5-(thiophen-3-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(thiophen-3-ylmethyl)pyrimidine
PubChem CID139023792
Molecular FormulaC9H7ClN2S
Molecular Weight210.69 g/mol
Exact Mass210.00
IUPAC Name4-chloro-5-(thiophen-3-ylmethyl)pyrimidine
SMILESClc1ncncc1Cc1ccsc1
InChIInChI=1S/C9H7ClN2S/c10-9-8(4-11-6-12-9)3-7-1-2-13-5-7/h1-2,4-6H,3H2
InChIKeyVHNFGCFGVXSYSW-UHFFFAOYSA-N
XLogP2.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(thiophen-3-ylmethyl)pyrimidine?
The IUPAC name of 4-chloro-5-(thiophen-3-ylmethyl)pyrimidine (CID 139023792) is 4-chloro-5-(thiophen-3-ylmethyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-(thiophen-3-ylmethyl)pyrimidine?
The canonical SMILES for 4-chloro-5-(thiophen-3-ylmethyl)pyrimidine is Clc1ncncc1Cc1ccsc1.
What is the InChIKey of 4-chloro-5-(thiophen-3-ylmethyl)pyrimidine?
The InChIKey is VHNFGCFGVXSYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2S/c10-9-8(4-11-6-12-9)3-7-1-2-13-5-7/h1-2,4-6H,3H2.
What are the key properties of 4-chloro-5-(thiophen-3-ylmethyl)pyrimidine?
4-chloro-5-(thiophen-3-ylmethyl)pyrimidine has a molecular weight of 210.69 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(thiophen-3-ylmethyl)pyrimidine is sourced from PubChem (CID 139023792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).