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

C14H12BrN3O2 — CID 118715870

IUPAC(7S)-7-[2-(4-bromophenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one
SMILESO=C(Cc1ccc(Br)cc1)[C@@H]1Cc2cncn2C(=O)N1
InChIInChI=1S/C14H12BrN3O2/c15-10-3-1-9(2-4-10)5-13(19)12-6-11-7-16-8-18(11)14(20)17-12/h1-4,7-8,12H,5-6H2,(H,17,20)/t12-/m0/s1
InChIKeyVZOBVXRMXLYUDY-LBPRGKRZSA-N
MW334.17 g/mol
LogP1.94
Rot. Bonds3

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

(7S)-7-[2-(4-bromophenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one (PubChem CID 118715870) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is (7S)-7-[2-(4-bromophenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one.

Molecular Properties

Compound Name(7S)-7-[2-(4-bromophenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one
PubChem CID118715870
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name(7S)-7-[2-(4-bromophenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one
SMILESO=C(Cc1ccc(Br)cc1)[C@@H]1Cc2cncn2C(=O)N1
InChIInChI=1S/C14H12BrN3O2/c15-10-3-1-9(2-4-10)5-13(19)12-6-11-7-16-8-18(11)14(20)17-12/h1-4,7-8,12H,5-6H2,(H,17,20)/t12-/m0/s1
InChIKeyVZOBVXRMXLYUDY-LBPRGKRZSA-N
XLogP1.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-3-amino-1-(4-bromophenyl)-4-(1H-imidazol-4-yl)butan-2-one dihydrochloride
CID 44307526
(3S)-3-amino-1-(4-bromophenyl)-4-(1H-imidazol-5-yl)butan-2-one;dihydrochloride
CID 44582920
(3S)-3-amino-1-(2-bromophenyl)-4-(1H-imidazol-5-yl)butan-2-one;dihydrochloride
CID 45260613
(3S)-3-amino-1-(3-bromophenyl)-4-(1H-imidazol-5-yl)butan-2-one;dihydrochloride
CID 45264522
(3S)-3-amino-1-(3,4-dibromophenyl)-4-(1H-imidazol-5-yl)butan-2-one;dihydrochloride
CID 45264532
(7S)-7-[2-(4-chlorophenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one
CID 118715871
(7S)-7-[2-(4-methylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one
CID 118715872
(7S)-7-[2-(2,4-difluorophenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one
CID 118715873
(7S)-7-[2-(4-phenylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one
CID 118715874
(7S)-7-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one
CID 118715875
2-(4-bromophenyl)-1-[(7S)-5-sulfanylidene-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-7-yl]ethanone
CID 118715877
2-(4-methylphenyl)-1-[(7S)-5-sulfanylidene-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-7-yl]ethanone
CID 118715879

Frequently Asked Questions

What is the IUPAC name of (7S)-7-[2-(4-bromophenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one?
The IUPAC name of (7S)-7-[2-(4-bromophenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one (CID 118715870) is (7S)-7-[2-(4-bromophenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one.
What is the SMILES notation for (7S)-7-[2-(4-bromophenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one?
The canonical SMILES for (7S)-7-[2-(4-bromophenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one is O=C(Cc1ccc(Br)cc1)[C@@H]1Cc2cncn2C(=O)N1.
What is the InChIKey of (7S)-7-[2-(4-bromophenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one?
The InChIKey is VZOBVXRMXLYUDY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c15-10-3-1-9(2-4-10)5-13(19)12-6-11-7-16-8-18(11)14(20)17-12/h1-4,7-8,12H,5-6H2,(H,17,20)/t12-/m0/s1.
What are the key properties of (7S)-7-[2-(4-bromophenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one?
(7S)-7-[2-(4-bromophenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one has a molecular weight of 334.17 g/mol, XLogP of 1.94, 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-bromophenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one is sourced from PubChem (CID 118715870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).