4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine

C10H12N2S — CID 3604667

IUPAC4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine
SMILESCc1cc(C2C=CNC=N2)c(C)s1
InChIInChI=1S/C10H12N2S/c1-7-5-9(8(2)13-7)10-3-4-11-6-12-10/h3-6,10H,1-2H3,(H,11,12)
InChIKeyONPRQZJDKZHNQE-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.55
Rot. Bonds1

About 4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine

4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine (PubChem CID 3604667) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine
PubChem CID3604667
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine
SMILESCc1cc(C2C=CNC=N2)c(C)s1
InChIInChI=1S/C10H12N2S/c1-7-5-9(8(2)13-7)10-3-4-11-6-12-10/h3-6,10H,1-2H3,(H,11,12)
InChIKeyONPRQZJDKZHNQE-UHFFFAOYSA-N
XLogP2.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine (CID 3604667) is 4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine is Cc1cc(C2C=CNC=N2)c(C)s1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine?
The InChIKey is ONPRQZJDKZHNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-7-5-9(8(2)13-7)10-3-4-11-6-12-10/h3-6,10H,1-2H3,(H,11,12).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine?
4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine has a molecular weight of 192.29 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-1,4-dihydropyrimidine is sourced from PubChem (CID 3604667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).