5-(thiophen-2-ylmethyl)pyrimidine

C9H8N2S — CID 166530274

IUPAC5-(thiophen-2-ylmethyl)pyrimidine
SMILESc1csc(Cc2cncnc2)c1
InChIInChI=1S/C9H8N2S/c1-2-9(12-3-1)4-8-5-10-7-11-6-8/h1-3,5-7H,4H2
InChIKeyVVYCWSJGOYJCBP-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.13
Rot. Bonds2

About 5-(thiophen-2-ylmethyl)pyrimidine

5-(thiophen-2-ylmethyl)pyrimidine (PubChem CID 166530274) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 5-(thiophen-2-ylmethyl)pyrimidine.

Molecular Properties

Compound Name5-(thiophen-2-ylmethyl)pyrimidine
PubChem CID166530274
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name5-(thiophen-2-ylmethyl)pyrimidine
SMILESc1csc(Cc2cncnc2)c1
InChIInChI=1S/C9H8N2S/c1-2-9(12-3-1)4-8-5-10-7-11-6-8/h1-3,5-7H,4H2
InChIKeyVVYCWSJGOYJCBP-UHFFFAOYSA-N
XLogP2.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(thiophen-2-ylmethyl)pyridine
CID 20981421
4-(thiophen-2-ylmethyl)phenol
CID 605440
5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
CID 118564355
2-ethyl-4-(thiophen-2-ylmethyl)thiophene
CID 13356124
N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine
CID 62501356
[6-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine
CID 121206379
sodium 2-(thiophen-2-ylmethyl)phenolate
CID 101328659
5-chloro-6-(thiophen-2-ylmethyl)-1H-pyrimidin-2-one
CID 70527841
2-[(3,4-dimethoxyphenyl)methyl]thiophene
CID 175110025
3-(thiophen-2-ylmethyl)benzaldehyde
CID 154360412
[2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]methanamine
CID 115087573
4-(2-thiophen-2-ylethoxy)pyrimidin-5-amine
CID 79916541

Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-2-ylmethyl)pyrimidine?
The IUPAC name of 5-(thiophen-2-ylmethyl)pyrimidine (CID 166530274) is 5-(thiophen-2-ylmethyl)pyrimidine.
What is the SMILES notation for 5-(thiophen-2-ylmethyl)pyrimidine?
The canonical SMILES for 5-(thiophen-2-ylmethyl)pyrimidine is c1csc(Cc2cncnc2)c1.
What is the InChIKey of 5-(thiophen-2-ylmethyl)pyrimidine?
The InChIKey is VVYCWSJGOYJCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c1-2-9(12-3-1)4-8-5-10-7-11-6-8/h1-3,5-7H,4H2.
What are the key properties of 5-(thiophen-2-ylmethyl)pyrimidine?
5-(thiophen-2-ylmethyl)pyrimidine has a molecular weight of 176.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-2-ylmethyl)pyrimidine is sourced from PubChem (CID 166530274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).