N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide

C18H18N4O — CID 155147854

IUPACN-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1ccn2cnc(C(=O)NCc3ccc4c(c3)CCC4)c2n1
InChIInChI=1S/C18H18N4O/c1-12-7-8-22-11-20-16(17(22)21-12)18(23)19-10-13-5-6-14-3-2-4-15(14)9-13/h5-9,11H,2-4,10H2,1H3,(H,19,23)
InChIKeyFKPWVBOWERHPTD-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.46
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide

N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 155147854) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID155147854
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1ccn2cnc(C(=O)NCc3ccc4c(c3)CCC4)c2n1
InChIInChI=1S/C18H18N4O/c1-12-7-8-22-11-20-16(17(22)21-12)18(23)19-10-13-5-6-14-3-2-4-15(14)9-13/h5-9,11H,2-4,10H2,1H3,(H,19,23)
InChIKeyFKPWVBOWERHPTD-UHFFFAOYSA-N
XLogP2.46
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 155147854) is N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide is Cc1ccn2cnc(C(=O)NCc3ccc4c(c3)CCC4)c2n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is FKPWVBOWERHPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-7-8-22-11-20-16(17(22)21-12)18(23)19-10-13-5-6-14-3-2-4-15(14)9-13/h5-9,11H,2-4,10H2,1H3,(H,19,23).
What are the key properties of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 155147854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).