N-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine

C13H22N4O — CID 112910154

IUPACN-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCOCCNc1cc(C)nc(N2CCCCC2)n1
InChIInChI=1S/C13H22N4O/c1-11-10-12(14-6-9-18-2)16-13(15-11)17-7-4-3-5-8-17/h10H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyRXZGYCDYLLGXQK-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.83
Rot. Bonds5

About N-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine

N-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine (PubChem CID 112910154) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
PubChem CID112910154
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCOCCNc1cc(C)nc(N2CCCCC2)n1
InChIInChI=1S/C13H22N4O/c1-11-10-12(14-6-9-18-2)16-13(15-11)17-7-4-3-5-8-17/h10H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyRXZGYCDYLLGXQK-UHFFFAOYSA-N
XLogP1.83
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190895
N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112911371
2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine
CID 112911357
6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 112869524
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910186
2-(azepan-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 112922536
N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112911741
ethyl 4-[4-(3-methoxypropylamino)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate
CID 112911739
2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 62319694
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912289
1-[2-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazolidin-2-one
CID 39818420
6-methyl-2-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 62191776

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine (CID 112910154) is N-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine is COCCNc1cc(C)nc(N2CCCCC2)n1.
What is the InChIKey of N-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is RXZGYCDYLLGXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11-10-12(14-6-9-18-2)16-13(15-11)17-7-4-3-5-8-17/h10H,3-9H2,1-2H3,(H,14,15,16).
What are the key properties of N-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine?
N-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112910154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).