[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

C18H20N8O2 — CID 122332371

IUPAC[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESCOc1cc(N2CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)nc(C)n1
InChIInChI=1S/C18H20N8O2/c1-13-20-16(11-17(21-13)28-2)24-6-8-25(9-7-24)18(27)14-4-3-5-15(10-14)26-12-19-22-23-26/h3-5,10-12H,6-9H2,1-2H3
InChIKeyXVSQJCDIKLDOIG-UHFFFAOYSA-N
MW380.41 g/mol
LogP0.73
Rot. Bonds4

About [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 122332371) has the molecular formula C18H20N8O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID122332371
Molecular FormulaC18H20N8O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESCOc1cc(N2CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)nc(C)n1
InChIInChI=1S/C18H20N8O2/c1-13-20-16(11-17(21-13)28-2)24-6-8-25(9-7-24)18(27)14-4-3-5-15(10-14)26-12-19-22-23-26/h3-5,10-12H,6-9H2,1-2H3
InChIKeyXVSQJCDIKLDOIG-UHFFFAOYSA-N
XLogP0.73
TPSA102.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473262
3-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile
CID 122332318
(4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 26519874
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 122348210
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 122332363
[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 121060077
[3-(4-fluorophenoxy)phenyl]-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332411
[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 122346676
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 42473268
[4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 38573728
(3-methoxyphenyl)-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 42065406
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 122338581

Frequently Asked Questions

What is the IUPAC name of [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone (CID 122332371) is [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone is COc1cc(N2CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)nc(C)n1.
What is the InChIKey of [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is XVSQJCDIKLDOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O2/c1-13-20-16(11-17(21-13)28-2)24-6-8-25(9-7-24)18(27)14-4-3-5-15(10-14)26-12-19-22-23-26/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 380.41 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 122332371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).