N-(ethoxymethyl)-5,6-dimethylpyrimidin-4-amine

C9H15N3O — CID 90452854

IUPACN-(ethoxymethyl)-5,6-dimethylpyrimidin-4-amine
SMILESCCOCNc1ncnc(C)c1C
InChIInChI=1S/C9H15N3O/c1-4-13-6-12-9-7(2)8(3)10-5-11-9/h5H,4,6H2,1-3H3,(H,10,11,12)
InChIKeyXVSBEKCIYDNPJP-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.50
Rot. Bonds4

About N-(ethoxymethyl)-5,6-dimethylpyrimidin-4-amine

N-(ethoxymethyl)-5,6-dimethylpyrimidin-4-amine (PubChem CID 90452854) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(ethoxymethyl)-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(ethoxymethyl)-5,6-dimethylpyrimidin-4-amine
PubChem CID90452854
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(ethoxymethyl)-5,6-dimethylpyrimidin-4-amine
SMILESCCOCNc1ncnc(C)c1C
InChIInChI=1S/C9H15N3O/c1-4-13-6-12-9-7(2)8(3)10-5-11-9/h5H,4,6H2,1-3H3,(H,10,11,12)
InChIKeyXVSBEKCIYDNPJP-UHFFFAOYSA-N
XLogP1.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(ethoxymethyl)-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-(ethoxymethyl)-5,6-dimethylpyrimidin-4-amine (CID 90452854) is N-(ethoxymethyl)-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(ethoxymethyl)-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(ethoxymethyl)-5,6-dimethylpyrimidin-4-amine is CCOCNc1ncnc(C)c1C.
What is the InChIKey of N-(ethoxymethyl)-5,6-dimethylpyrimidin-4-amine?
The InChIKey is XVSBEKCIYDNPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-13-6-12-9-7(2)8(3)10-5-11-9/h5H,4,6H2,1-3H3,(H,10,11,12).
What are the key properties of N-(ethoxymethyl)-5,6-dimethylpyrimidin-4-amine?
N-(ethoxymethyl)-5,6-dimethylpyrimidin-4-amine has a molecular weight of 181.24 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethoxymethyl)-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 90452854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).