2-(2-cyclopropylethoxymethyl)-N,6-dimethylpyrimidin-4-amine

C12H19N3O — CID 106205209

IUPAC2-(2-cyclopropylethoxymethyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(COCCC2CC2)n1
InChIInChI=1S/C12H19N3O/c1-9-7-11(13-2)15-12(14-9)8-16-6-5-10-3-4-10/h7,10H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyYWXYKLLWOXJDAA-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.14
Rot. Bonds6

About 2-(2-cyclopropylethoxymethyl)-N,6-dimethylpyrimidin-4-amine

2-(2-cyclopropylethoxymethyl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 106205209) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2-cyclopropylethoxymethyl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-cyclopropylethoxymethyl)-N,6-dimethylpyrimidin-4-amine
PubChem CID106205209
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(2-cyclopropylethoxymethyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(COCCC2CC2)n1
InChIInChI=1S/C12H19N3O/c1-9-7-11(13-2)15-12(14-9)8-16-6-5-10-3-4-10/h7,10H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyYWXYKLLWOXJDAA-UHFFFAOYSA-N
XLogP2.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-cyclopropylethoxymethyl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(2-cyclopropylethoxymethyl)-N,6-dimethylpyrimidin-4-amine (CID 106205209) is 2-(2-cyclopropylethoxymethyl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-cyclopropylethoxymethyl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(2-cyclopropylethoxymethyl)-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(COCCC2CC2)n1.
What is the InChIKey of 2-(2-cyclopropylethoxymethyl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is YWXYKLLWOXJDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-7-11(13-2)15-12(14-9)8-16-6-5-10-3-4-10/h7,10H,3-6,8H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(2-cyclopropylethoxymethyl)-N,6-dimethylpyrimidin-4-amine?
2-(2-cyclopropylethoxymethyl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 221.30 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethoxymethyl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 106205209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).