2-imidazol-1-yl-N-(2-methoxyethyl)pyrimidin-4-amine

C10H13N5O — CID 22402367

IUPAC2-imidazol-1-yl-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1ccnc(-n2ccnc2)n1
InChIInChI=1S/C10H13N5O/c1-16-7-5-12-9-2-3-13-10(14-9)15-6-4-11-8-15/h2-4,6,8H,5,7H2,1H3,(H,12,13,14)
InChIKeyWSNKLMCLTOHXEA-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.72
Rot. Bonds5

About 2-imidazol-1-yl-N-(2-methoxyethyl)pyrimidin-4-amine

2-imidazol-1-yl-N-(2-methoxyethyl)pyrimidin-4-amine (PubChem CID 22402367) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(2-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(2-methoxyethyl)pyrimidin-4-amine
PubChem CID22402367
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-imidazol-1-yl-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1ccnc(-n2ccnc2)n1
InChIInChI=1S/C10H13N5O/c1-16-7-5-12-9-2-3-13-10(14-9)15-6-4-11-8-15/h2-4,6,8H,5,7H2,1H3,(H,12,13,14)
InChIKeyWSNKLMCLTOHXEA-UHFFFAOYSA-N
XLogP0.72
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.72
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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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(2-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of 2-imidazol-1-yl-N-(2-methoxyethyl)pyrimidin-4-amine (CID 22402367) is 2-imidazol-1-yl-N-(2-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-imidazol-1-yl-N-(2-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 2-imidazol-1-yl-N-(2-methoxyethyl)pyrimidin-4-amine is COCCNc1ccnc(-n2ccnc2)n1.
What is the InChIKey of 2-imidazol-1-yl-N-(2-methoxyethyl)pyrimidin-4-amine?
The InChIKey is WSNKLMCLTOHXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-16-7-5-12-9-2-3-13-10(14-9)15-6-4-11-8-15/h2-4,6,8H,5,7H2,1H3,(H,12,13,14).
What are the key properties of 2-imidazol-1-yl-N-(2-methoxyethyl)pyrimidin-4-amine?
2-imidazol-1-yl-N-(2-methoxyethyl)pyrimidin-4-amine has a molecular weight of 219.25 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(2-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 22402367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).