(7S)-7-[2-(4-methylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one

C15H15N3O2 — CID 118715872

IUPAC(7S)-7-[2-(4-methylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one
SMILESCc1ccc(CC(=O)[C@@H]2Cc3cncn3C(=O)N2)cc1
InChIInChI=1S/C15H15N3O2/c1-10-2-4-11(5-3-10)6-14(19)13-7-12-8-16-9-18(12)15(20)17-13/h2-5,8-9,13H,6-7H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyPIGCCWWBGOHCRI-ZDUSSCGKSA-N
MW269.30 g/mol
LogP1.49
Rot. Bonds3

About (7S)-7-[2-(4-methylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one

(7S)-7-[2-(4-methylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one (PubChem CID 118715872) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is (7S)-7-[2-(4-methylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one.

Molecular Properties

Compound Name(7S)-7-[2-(4-methylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one
PubChem CID118715872
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name(7S)-7-[2-(4-methylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one
SMILESCc1ccc(CC(=O)[C@@H]2Cc3cncn3C(=O)N2)cc1
InChIInChI=1S/C15H15N3O2/c1-10-2-4-11(5-3-10)6-14(19)13-7-12-8-16-9-18(12)15(20)17-13/h2-5,8-9,13H,6-7H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyPIGCCWWBGOHCRI-ZDUSSCGKSA-N
XLogP1.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-[2-(4-methylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one?
The IUPAC name of (7S)-7-[2-(4-methylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one (CID 118715872) is (7S)-7-[2-(4-methylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one.
What is the SMILES notation for (7S)-7-[2-(4-methylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one?
The canonical SMILES for (7S)-7-[2-(4-methylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one is Cc1ccc(CC(=O)[C@@H]2Cc3cncn3C(=O)N2)cc1.
What is the InChIKey of (7S)-7-[2-(4-methylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one?
The InChIKey is PIGCCWWBGOHCRI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-2-4-11(5-3-10)6-14(19)13-7-12-8-16-9-18(12)15(20)17-13/h2-5,8-9,13H,6-7H2,1H3,(H,17,20)/t13-/m0/s1.
What are the key properties of (7S)-7-[2-(4-methylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one?
(7S)-7-[2-(4-methylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one has a molecular weight of 269.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[2-(4-methylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one is sourced from PubChem (CID 118715872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).