2-methyl-6-phenyl-4-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidine

C17H13N3S — CID 10639971

IUPAC2-methyl-6-phenyl-4-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(-c2ccsc2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C17H13N3S/c1-11-18-15-9-14(12-5-3-2-4-6-12)20-17(15)16(19-11)13-7-8-21-10-13/h2-10,20H,1H3
InChIKeyYGCIGWUGDRPYBR-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.66
Rot. Bonds2

About 2-methyl-6-phenyl-4-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidine

2-methyl-6-phenyl-4-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10639971) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-methyl-6-phenyl-4-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-6-phenyl-4-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10639971
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name2-methyl-6-phenyl-4-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(-c2ccsc2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C17H13N3S/c1-11-18-15-9-14(12-5-3-2-4-6-12)20-17(15)16(19-11)13-7-8-21-10-13/h2-10,20H,1H3
InChIKeyYGCIGWUGDRPYBR-UHFFFAOYSA-N
XLogP4.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-4-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-methyl-6-phenyl-4-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 10639971) is 2-methyl-6-phenyl-4-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-methyl-6-phenyl-4-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-methyl-6-phenyl-4-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidine is Cc1nc(-c2ccsc2)c2[nH]c(-c3ccccc3)cc2n1.
What is the InChIKey of 2-methyl-6-phenyl-4-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is YGCIGWUGDRPYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-11-18-15-9-14(12-5-3-2-4-6-12)20-17(15)16(19-11)13-7-8-21-10-13/h2-10,20H,1H3.
What are the key properties of 2-methyl-6-phenyl-4-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidine?
2-methyl-6-phenyl-4-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 291.38 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-4-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10639971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).