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

C13H11N3 — CID 21258108

IUPAC2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1ncc2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C13H11N3/c1-9-14-8-13-12(15-9)7-11(16-13)10-5-3-2-4-6-10/h2-8,16H,1H3
InChIKeyMGPGWQDUISOIKA-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.93
Rot. Bonds1

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

2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 21258108) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID21258108
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1ncc2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C13H11N3/c1-9-14-8-13-12(15-9)7-11(16-13)10-5-3-2-4-6-10/h2-8,16H,1H3
InChIKeyMGPGWQDUISOIKA-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
CID 72698299
2,5-diphenyl-1H-pyrrolo[2,3-c]pyridine
CID 131847490
6-(2-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 140917315
2-methylquinazoline
CID 588987
2-methyl-5-phenyl-4H-pyrrolo[3,2-d][1,3]thiazole
CID 121012004
ethane;2-methylquinazoline
CID 176988292
2-methylquinazoline;platinum
CID 140601163
2,7-diphenyl-6H-pyrido[4,3-d]pyrimidin-5-one
CID 131851212
2-phenyl-1H-pyrrolo[2,3-c]pyridine
CID 11480986
2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine
CID 84676205
2-methylbenzo[g]quinazoline
CID 58939707
6-fluoro-5-methyl-2-phenyl-1H-indole
CID 69096963

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine (CID 21258108) is 2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine is Cc1ncc2[nH]c(-c3ccccc3)cc2n1.
What is the InChIKey of 2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is MGPGWQDUISOIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-9-14-8-13-12(15-9)7-11(16-13)10-5-3-2-4-6-10/h2-8,16H,1H3.
What are the key properties of 2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine?
2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 209.25 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 21258108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).