[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C17H23N7O2 — CID 109364678

IUPAC[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCOCCNc1cc(C(=O)N2CCN(c3ncccn3)CC2)nc(C)n1
InChIInChI=1S/C17H23N7O2/c1-13-21-14(12-15(22-13)18-6-11-26-2)16(25)23-7-9-24(10-8-23)17-19-4-3-5-20-17/h3-5,12H,6-11H2,1-2H3,(H,18,21,22)
InChIKeyPTXDZBSQPPLEEF-UHFFFAOYSA-N
MW357.42 g/mol
LogP0.60
Rot. Bonds6

About [6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 109364678) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is [6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID109364678
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCOCCNc1cc(C(=O)N2CCN(c3ncccn3)CC2)nc(C)n1
InChIInChI=1S/C17H23N7O2/c1-13-21-14(12-15(22-13)18-6-11-26-2)16(25)23-7-9-24(10-8-23)17-19-4-3-5-20-17/h3-5,12H,6-11H2,1-2H3,(H,18,21,22)
InChIKeyPTXDZBSQPPLEEF-UHFFFAOYSA-N
XLogP0.60
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-methyl-6-(pentylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109373257
[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364250
[2-methyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109370979
ethyl 4-[6-(3-methoxypropylamino)-2-methylpyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109365034
(4-ethylpiperazin-1-yl)-[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]methanone
CID 109364994
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]methanone
CID 109365036
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]methanone
CID 109365027
[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109365724
4-[6-[2-(4-methoxyphenoxy)ethylamino]-2-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109367610
[6-(3-methoxypropylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109153147
(4-methylpiperazin-1-yl)-[2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109367054
N-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103444

Frequently Asked Questions

What is the IUPAC name of [6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 109364678) is [6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is COCCNc1cc(C(=O)N2CCN(c3ncccn3)CC2)nc(C)n1.
What is the InChIKey of [6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is PTXDZBSQPPLEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-13-21-14(12-15(22-13)18-6-11-26-2)16(25)23-7-9-24(10-8-23)17-19-4-3-5-20-17/h3-5,12H,6-11H2,1-2H3,(H,18,21,22).
What are the key properties of [6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 357.42 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109364678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).