(6-methoxypyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

C17H20N4O2 — CID 121167441

IUPAC(6-methoxypyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(c3cccc(C)c3)CC2)ncn1
InChIInChI=1S/C17H20N4O2/c1-13-4-3-5-14(10-13)20-6-8-21(9-7-20)17(22)15-11-16(23-2)19-12-18-15/h3-5,10-12H,6-9H2,1-2H3
InChIKeyCPMUISUMLXVMKM-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.76
Rot. Bonds3

About (6-methoxypyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

(6-methoxypyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 121167441) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (6-methoxypyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxypyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID121167441
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(6-methoxypyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(c3cccc(C)c3)CC2)ncn1
InChIInChI=1S/C17H20N4O2/c1-13-4-3-5-14(10-13)20-6-8-21(9-7-20)17(22)15-11-16(23-2)19-12-18-15/h3-5,10-12H,6-9H2,1-2H3
InChIKeyCPMUISUMLXVMKM-UHFFFAOYSA-N
XLogP1.76
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109352915
4-[6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345744
[4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone
CID 110854458
[6-(3-methylbutylamino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109352932
[6-(3-fluoroanilino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109352947
[4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27040790
[4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205119
[4-(3-methylphenyl)piperazin-1-yl]-[4-(2-methylpropylamino)-2-pyridinyl]methanone
CID 109203100
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
(2-hydroxy-5-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17421447
(2-hydroxy-4-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 25398097
[4-(3-methylphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 46407910

Frequently Asked Questions

What is the IUPAC name of (6-methoxypyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (6-methoxypyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 121167441) is (6-methoxypyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-methoxypyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-methoxypyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is COc1cc(C(=O)N2CCN(c3cccc(C)c3)CC2)ncn1.
What is the InChIKey of (6-methoxypyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is CPMUISUMLXVMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13-4-3-5-14(10-13)20-6-8-21(9-7-20)17(22)15-11-16(23-2)19-12-18-15/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of (6-methoxypyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
(6-methoxypyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 312.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 121167441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).