8-[3-[(4-methoxyphenyl)methyl]phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine

C26H26N4O — CID 11618427

IUPAC8-[3-[(4-methoxyphenyl)methyl]phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESCOc1ccc(Cc2cccc(C3(c4ccccc4)N=C(N)N4CCCN=C43)c2)cc1
InChIInChI=1S/C26H26N4O/c1-31-23-13-11-19(12-14-23)17-20-7-5-10-22(18-20)26(21-8-3-2-4-9-21)24-28-15-6-16-30(24)25(27)29-26/h2-5,7-14,18H,6,15-17H2,1H3,(H2,27,29)
InChIKeyORUROHUFAQTTIX-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.96
Rot. Bonds5

About 8-[3-[(4-methoxyphenyl)methyl]phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine

8-[3-[(4-methoxyphenyl)methyl]phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (PubChem CID 11618427) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 8-[3-[(4-methoxyphenyl)methyl]phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name8-[3-[(4-methoxyphenyl)methyl]phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
PubChem CID11618427
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name8-[3-[(4-methoxyphenyl)methyl]phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESCOc1ccc(Cc2cccc(C3(c4ccccc4)N=C(N)N4CCCN=C43)c2)cc1
InChIInChI=1S/C26H26N4O/c1-31-23-13-11-19(12-14-23)17-20-7-5-10-22(18-20)26(21-8-3-2-4-9-21)24-28-15-6-16-30(24)25(27)29-26/h2-5,7-14,18H,6,15-17H2,1H3,(H2,27,29)
InChIKeyORUROHUFAQTTIX-UHFFFAOYSA-N
XLogP3.96
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[3-[(4-methoxyphenyl)methyl]phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 8-[3-[(4-methoxyphenyl)methyl]phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (CID 11618427) is 8-[3-[(4-methoxyphenyl)methyl]phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 8-[3-[(4-methoxyphenyl)methyl]phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 8-[3-[(4-methoxyphenyl)methyl]phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is COc1ccc(Cc2cccc(C3(c4ccccc4)N=C(N)N4CCCN=C43)c2)cc1.
What is the InChIKey of 8-[3-[(4-methoxyphenyl)methyl]phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is ORUROHUFAQTTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-31-23-13-11-19(12-14-23)17-20-7-5-10-22(18-20)26(21-8-3-2-4-9-21)24-28-15-6-16-30(24)25(27)29-26/h2-5,7-14,18H,6,15-17H2,1H3,(H2,27,29).
What are the key properties of 8-[3-[(4-methoxyphenyl)methyl]phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
8-[3-[(4-methoxyphenyl)methyl]phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 410.52 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[(4-methoxyphenyl)methyl]phenyl]-8-phenyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 11618427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).