6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine

C16H21N3O2 — CID 82454445

IUPAC6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
SMILESCOCCOc1cc(NCc2ccc(C)cc2)nc(C)n1
InChIInChI=1S/C16H21N3O2/c1-12-4-6-14(7-5-12)11-17-15-10-16(19-13(2)18-15)21-9-8-20-3/h4-7,10H,8-9,11H2,1-3H3,(H,17,18,19)
InChIKeyDWMJUJMBJFDNNS-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.73
Rot. Bonds7

About 6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine

6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine (PubChem CID 82454445) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
PubChem CID82454445
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
SMILESCOCCOc1cc(NCc2ccc(C)cc2)nc(C)n1
InChIInChI=1S/C16H21N3O2/c1-12-4-6-14(7-5-12)11-17-15-10-16(19-13(2)18-15)21-9-8-20-3/h4-7,10H,8-9,11H2,1-3H3,(H,17,18,19)
InChIKeyDWMJUJMBJFDNNS-UHFFFAOYSA-N
XLogP2.73
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.73
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

6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82454448
2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82454179
N-[(4-chlorophenyl)methyl]-2-methyl-6-propoxypyrimidin-4-amine
CID 82454030
N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326678
N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331237
N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66325047
N',N'-diethyl-N-[6-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]ethane-1,2-diamine
CID 82454422
6-(2-methoxyethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364634
6-(2-aminoethoxy)-N-(3-methoxypropyl)-2-methylpyrimidin-4-amine
CID 121206105
5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 81099839
2-methyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112871962
6-N-(3-methoxypropyl)-2-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112869661

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine (CID 82454445) is 6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine is COCCOc1cc(NCc2ccc(C)cc2)nc(C)n1.
What is the InChIKey of 6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is DWMJUJMBJFDNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-4-6-14(7-5-12)11-17-15-10-16(19-13(2)18-15)21-9-8-20-3/h4-7,10H,8-9,11H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine?
6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 82454445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).