1-imidazo[1,5-a]pyrimidin-4-ylimidazo[1,5-c]pyrimidine

C12H8N6 — CID 137426609

IUPAC1-imidazo[1,5-a]pyrimidin-4-ylimidazo[1,5-c]pyrimidine
SMILESc1cc2c(-c3ccnc4cncn34)ncn2cn1
InChIInChI=1S/C12H8N6/c1-3-13-6-17-8-16-12(9(1)17)10-2-4-15-11-5-14-7-18(10)11/h1-8H
InChIKeySJXIMXGESAANQM-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.44
Rot. Bonds1

About 1-imidazo[1,5-a]pyrimidin-4-ylimidazo[1,5-c]pyrimidine

1-imidazo[1,5-a]pyrimidin-4-ylimidazo[1,5-c]pyrimidine (PubChem CID 137426609) has the molecular formula C12H8N6 and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-imidazo[1,5-a]pyrimidin-4-ylimidazo[1,5-c]pyrimidine.

Molecular Properties

Compound Name1-imidazo[1,5-a]pyrimidin-4-ylimidazo[1,5-c]pyrimidine
PubChem CID137426609
Molecular FormulaC12H8N6
Molecular Weight236.24 g/mol
Exact Mass236.08
IUPAC Name1-imidazo[1,5-a]pyrimidin-4-ylimidazo[1,5-c]pyrimidine
SMILESc1cc2c(-c3ccnc4cncn34)ncn2cn1
InChIInChI=1S/C12H8N6/c1-3-13-6-17-8-16-12(9(1)17)10-2-4-15-11-5-14-7-18(10)11/h1-8H
InChIKeySJXIMXGESAANQM-UHFFFAOYSA-N
XLogP1.44
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(trifluoromethyl)imidazo[1,5-a]pyrimidine
CID 69092244
1,5,8,11-tetrazatricyclo[5.2.2.02,6]undeca-2,4,6,8,10-pentaene
CID 131853054
1-pyridin-4-ylimidazo[1,5-a]pyridine
CID 171925806
pyrrolo[3,2-d]pyrimidin-1-amine
CID 163526464
5-methylimidazo[1,5-c]pyrimidine
CID 130250786
5-bromopyrrolo[1,2-c]pyrimidine-7-carbonitrile
CID 137347704
5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene
CID 54002015
imidazo[1,2-a]pyrazine
CID 2771670
imidazo[1,5-a][1,3,5]triazine-2-carbonitrile
CID 89386874
3-iodo-[1,2,4]triazolo[4,3-c]pyrimidine
CID 134334464
8-imidazo[1,5-a]pyridin-5-ylimidazo[1,2-c]pyrimidine
CID 134398345
2-tert-butylimidazo[1,5-a]pyrimidine
CID 138656525

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,5-a]pyrimidin-4-ylimidazo[1,5-c]pyrimidine?
The IUPAC name of 1-imidazo[1,5-a]pyrimidin-4-ylimidazo[1,5-c]pyrimidine (CID 137426609) is 1-imidazo[1,5-a]pyrimidin-4-ylimidazo[1,5-c]pyrimidine.
What is the SMILES notation for 1-imidazo[1,5-a]pyrimidin-4-ylimidazo[1,5-c]pyrimidine?
The canonical SMILES for 1-imidazo[1,5-a]pyrimidin-4-ylimidazo[1,5-c]pyrimidine is c1cc2c(-c3ccnc4cncn34)ncn2cn1.
What is the InChIKey of 1-imidazo[1,5-a]pyrimidin-4-ylimidazo[1,5-c]pyrimidine?
The InChIKey is SJXIMXGESAANQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6/c1-3-13-6-17-8-16-12(9(1)17)10-2-4-15-11-5-14-7-18(10)11/h1-8H.
What are the key properties of 1-imidazo[1,5-a]pyrimidin-4-ylimidazo[1,5-c]pyrimidine?
1-imidazo[1,5-a]pyrimidin-4-ylimidazo[1,5-c]pyrimidine has a molecular weight of 236.24 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,5-a]pyrimidin-4-ylimidazo[1,5-c]pyrimidine is sourced from PubChem (CID 137426609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).