7-methyl-2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine

C19H22N4 — CID 122183035

IUPAC7-methyl-2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
SMILESCc1ccn2c(CN3CCCCC3)c(-c3ccccc3)nc2n1
InChIInChI=1S/C19H22N4/c1-15-10-13-23-17(14-22-11-6-3-7-12-22)18(21-19(23)20-15)16-8-4-2-5-9-16/h2,4-5,8-10,13H,3,6-7,11-12,14H2,1H3
InChIKeyUIVHRNGKSDPFOF-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.69
Rot. Bonds3

About 7-methyl-2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine

7-methyl-2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine (PubChem CID 122183035) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 7-methyl-2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-methyl-2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
PubChem CID122183035
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name7-methyl-2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
SMILESCc1ccn2c(CN3CCCCC3)c(-c3ccccc3)nc2n1
InChIInChI=1S/C19H22N4/c1-15-10-13-23-17(14-22-11-6-3-7-12-22)18(21-19(23)20-15)16-8-4-2-5-9-16/h2,4-5,8-10,13H,3,6-7,11-12,14H2,1H3
InChIKeyUIVHRNGKSDPFOF-UHFFFAOYSA-N
XLogP3.69
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-methyl-2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine (CID 122183035) is 7-methyl-2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-methyl-2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-methyl-2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine is Cc1ccn2c(CN3CCCCC3)c(-c3ccccc3)nc2n1.
What is the InChIKey of 7-methyl-2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is UIVHRNGKSDPFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-15-10-13-23-17(14-22-11-6-3-7-12-22)18(21-19(23)20-15)16-8-4-2-5-9-16/h2,4-5,8-10,13H,3,6-7,11-12,14H2,1H3.
What are the key properties of 7-methyl-2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
7-methyl-2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 306.41 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122183035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).