1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one

C20H24N8O — CID 131891349

IUPAC1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
SMILESCc1ncnc(N2CCN(C(=O)C(Cc3ccccc3)n3cnnn3)CC2)c1C
InChIInChI=1S/C20H24N8O/c1-15-16(2)21-13-22-19(15)26-8-10-27(11-9-26)20(29)18(28-14-23-24-25-28)12-17-6-4-3-5-7-17/h3-7,13-14,18H,8-12H2,1-2H3
InChIKeyCOHPGTDOWGRPQJ-UHFFFAOYSA-N
MW392.47 g/mol
LogP1.21
Rot. Bonds5

About 1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one

1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one (PubChem CID 131891349) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is 1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
PubChem CID131891349
Molecular FormulaC20H24N8O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
SMILESCc1ncnc(N2CCN(C(=O)C(Cc3ccccc3)n3cnnn3)CC2)c1C
InChIInChI=1S/C20H24N8O/c1-15-16(2)21-13-22-19(15)26-8-10-27(11-9-26)20(29)18(28-14-23-24-25-28)12-17-6-4-3-5-7-17/h3-7,13-14,18H,8-12H2,1-2H3
InChIKeyCOHPGTDOWGRPQJ-UHFFFAOYSA-N
XLogP1.21
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one with MolForge

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Related Compounds

(2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one
CID 51054904
1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 46448815
(2R)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 95395707
(2S)-1-(4-benzylpiperazin-1-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 32831551
(2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one
CID 94551515
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 86949782
1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
CID 142220575
(2R)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 95402920
1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 55496660
1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 55413484
(2R)-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(tetrazol-1-yl)propan-1-one
CID 38298963
(2R)-1-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 124838639

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one (CID 131891349) is 1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one is Cc1ncnc(N2CCN(C(=O)C(Cc3ccccc3)n3cnnn3)CC2)c1C.
What is the InChIKey of 1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one?
The InChIKey is COHPGTDOWGRPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O/c1-15-16(2)21-13-22-19(15)26-8-10-27(11-9-26)20(29)18(28-14-23-24-25-28)12-17-6-4-3-5-7-17/h3-7,13-14,18H,8-12H2,1-2H3.
What are the key properties of 1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one?
1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one has a molecular weight of 392.47 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 131891349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).