5-methyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)imidazo[1,5-c]pyrimidine

C16H18N6 — CID 110131586

IUPAC5-methyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)imidazo[1,5-c]pyrimidine
SMILESCc1nc(C2CCCN(c3ccncn3)C2)cc2cncn12
InChIInChI=1S/C16H18N6/c1-12-20-15(7-14-8-18-11-22(12)14)13-3-2-6-21(9-13)16-4-5-17-10-19-16/h4-5,7-8,10-11,13H,2-3,6,9H2,1H3
InChIKeyFTKIBJWLXDEUML-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.21
Rot. Bonds2

About 5-methyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)imidazo[1,5-c]pyrimidine

5-methyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)imidazo[1,5-c]pyrimidine (PubChem CID 110131586) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-methyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)imidazo[1,5-c]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)imidazo[1,5-c]pyrimidine
PubChem CID110131586
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name5-methyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)imidazo[1,5-c]pyrimidine
SMILESCc1nc(C2CCCN(c3ccncn3)C2)cc2cncn12
InChIInChI=1S/C16H18N6/c1-12-20-15(7-14-8-18-11-22(12)14)13-3-2-6-21(9-13)16-4-5-17-10-19-16/h4-5,7-8,10-11,13H,2-3,6,9H2,1H3
InChIKeyFTKIBJWLXDEUML-UHFFFAOYSA-N
XLogP2.21
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)imidazo[1,5-c]pyrimidine?
The IUPAC name of 5-methyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)imidazo[1,5-c]pyrimidine (CID 110131586) is 5-methyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)imidazo[1,5-c]pyrimidine.
What is the SMILES notation for 5-methyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)imidazo[1,5-c]pyrimidine?
The canonical SMILES for 5-methyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)imidazo[1,5-c]pyrimidine is Cc1nc(C2CCCN(c3ccncn3)C2)cc2cncn12.
What is the InChIKey of 5-methyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)imidazo[1,5-c]pyrimidine?
The InChIKey is FTKIBJWLXDEUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-12-20-15(7-14-8-18-11-22(12)14)13-3-2-6-21(9-13)16-4-5-17-10-19-16/h4-5,7-8,10-11,13H,2-3,6,9H2,1H3.
What are the key properties of 5-methyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)imidazo[1,5-c]pyrimidine?
5-methyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)imidazo[1,5-c]pyrimidine has a molecular weight of 294.36 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)imidazo[1,5-c]pyrimidine is sourced from PubChem (CID 110131586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).