1-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]piperidin-4-one

C13H20N4O2 — CID 94672134

IUPAC1-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]piperidin-4-one
SMILESCOCCNc1nc(C)cc(N2CCC(=O)CC2)n1
InChIInChI=1S/C13H20N4O2/c1-10-9-12(17-6-3-11(18)4-7-17)16-13(15-10)14-5-8-19-2/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeySVZXOIQWEMBWLD-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.01
Rot. Bonds5

About 1-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]piperidin-4-one

1-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]piperidin-4-one (PubChem CID 94672134) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]piperidin-4-one
PubChem CID94672134
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]piperidin-4-one
SMILESCOCCNc1nc(C)cc(N2CCC(=O)CC2)n1
InChIInChI=1S/C13H20N4O2/c1-10-9-12(17-6-3-11(18)4-7-17)16-13(15-10)14-5-8-19-2/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeySVZXOIQWEMBWLD-UHFFFAOYSA-N
XLogP1.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine
CID 112911568
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine
CID 112911551
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 112912114
4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine
CID 80837570
2-ethyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]butanamide
CID 121075133
4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913833
4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 80792256
4-[2-(butylamino)-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112908286
4-methyl-N-(2-morpholin-4-ylethyl)-6-piperidin-1-ylpyrimidin-2-amine
CID 112909978
2-[2-(dimethylsulfamoylamino)ethylamino]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 121075493
2-methoxy-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 122295080
1-[4-[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112934992

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]piperidin-4-one?
The IUPAC name of 1-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]piperidin-4-one (CID 94672134) is 1-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]piperidin-4-one.
What is the SMILES notation for 1-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]piperidin-4-one?
The canonical SMILES for 1-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]piperidin-4-one is COCCNc1nc(C)cc(N2CCC(=O)CC2)n1.
What is the InChIKey of 1-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]piperidin-4-one?
The InChIKey is SVZXOIQWEMBWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-9-12(17-6-3-11(18)4-7-17)16-13(15-10)14-5-8-19-2/h9H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 1-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]piperidin-4-one?
1-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]piperidin-4-one has a molecular weight of 264.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]piperidin-4-one is sourced from PubChem (CID 94672134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).