6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine

C14H18N4O2 — CID 82454448

IUPAC6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCOCCOc1cc(NCc2ccncc2)nc(C)n1
InChIInChI=1S/C14H18N4O2/c1-11-17-13(9-14(18-11)20-8-7-19-2)16-10-12-3-5-15-6-4-12/h3-6,9H,7-8,10H2,1-2H3,(H,16,17,18)
InChIKeyXEMMCOUYZOYEEX-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.82
Rot. Bonds7

About 6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine

6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine (PubChem CID 82454448) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
PubChem CID82454448
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCOCCOc1cc(NCc2ccncc2)nc(C)n1
InChIInChI=1S/C14H18N4O2/c1-11-17-13(9-14(18-11)20-8-7-19-2)16-10-12-3-5-15-6-4-12/h3-6,9H,7-8,10H2,1-2H3,(H,16,17,18)
InChIKeyXEMMCOUYZOYEEX-UHFFFAOYSA-N
XLogP1.82
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.82
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

6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 82454445
6-N-(3-methoxypropyl)-2-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112869661
N-[(4-chlorophenyl)methyl]-2-methyl-6-propoxypyrimidin-4-amine
CID 82454030
methyl 4-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-2-carboxylate
CID 66286224
N',N'-diethyl-N-[6-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]ethane-1,2-diamine
CID 82454422
2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456714
N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66325047
N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331237
N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326678
2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82454179
methyl 4-[[2-methyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 112873631
2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456429

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine (CID 82454448) is 6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine is COCCOc1cc(NCc2ccncc2)nc(C)n1.
What is the InChIKey of 6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is XEMMCOUYZOYEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11-17-13(9-14(18-11)20-8-7-19-2)16-10-12-3-5-15-6-4-12/h3-6,9H,7-8,10H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 274.32 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 82454448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).