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

C23H22N6O — CID 11711024

IUPAC8-(4-methoxyphenyl)-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESCOc1ccc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N3CCCN=C32)cc1
InChIInChI=1S/C23H22N6O/c1-30-20-8-6-18(7-9-20)23(21-27-10-3-11-29(21)22(24)28-23)19-5-2-4-16(12-19)17-13-25-15-26-14-17/h2,4-9,12-15H,3,10-11H2,1H3,(H2,24,28)
InChIKeyLSPPQVUEXNMTCS-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.83
Rot. Bonds4

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

8-(4-methoxyphenyl)-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (PubChem CID 11711024) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
PubChem CID11711024
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name8-(4-methoxyphenyl)-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESCOc1ccc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N3CCCN=C32)cc1
InChIInChI=1S/C23H22N6O/c1-30-20-8-6-18(7-9-20)23(21-27-10-3-11-29(21)22(24)28-23)19-5-2-4-16(12-19)17-13-25-15-26-14-17/h2,4-9,12-15H,3,10-11H2,1H3,(H2,24,28)
InChIKeyLSPPQVUEXNMTCS-UHFFFAOYSA-N
XLogP2.83
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 8-(4-methoxyphenyl)-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (CID 11711024) is 8-(4-methoxyphenyl)-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 8-(4-methoxyphenyl)-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 8-(4-methoxyphenyl)-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is COc1ccc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N3CCCN=C32)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is LSPPQVUEXNMTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-30-20-8-6-18(7-9-20)23(21-27-10-3-11-29(21)22(24)28-23)19-5-2-4-16(12-19)17-13-25-15-26-14-17/h2,4-9,12-15H,3,10-11H2,1H3,(H2,24,28).
What are the key properties of 8-(4-methoxyphenyl)-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
8-(4-methoxyphenyl)-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 398.47 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 11711024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).