2-(ethoxymethyl)-6-(1-methylpyrazol-3-yl)pyrimidin-4-amine

C11H15N5O — CID 103132094

IUPAC2-(ethoxymethyl)-6-(1-methylpyrazol-3-yl)pyrimidin-4-amine
SMILESCCOCc1nc(N)cc(-c2ccn(C)n2)n1
InChIInChI=1S/C11H15N5O/c1-3-17-7-11-13-9(6-10(12)14-11)8-4-5-16(2)15-8/h4-6H,3,7H2,1-2H3,(H2,12,13,14)
InChIKeyYLMPYMFYMURMKF-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.00
Rot. Bonds4

About 2-(ethoxymethyl)-6-(1-methylpyrazol-3-yl)pyrimidin-4-amine

2-(ethoxymethyl)-6-(1-methylpyrazol-3-yl)pyrimidin-4-amine (PubChem CID 103132094) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(ethoxymethyl)-6-(1-methylpyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-6-(1-methylpyrazol-3-yl)pyrimidin-4-amine
PubChem CID103132094
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name2-(ethoxymethyl)-6-(1-methylpyrazol-3-yl)pyrimidin-4-amine
SMILESCCOCc1nc(N)cc(-c2ccn(C)n2)n1
InChIInChI=1S/C11H15N5O/c1-3-17-7-11-13-9(6-10(12)14-11)8-4-5-16(2)15-8/h4-6H,3,7H2,1-2H3,(H2,12,13,14)
InChIKeyYLMPYMFYMURMKF-UHFFFAOYSA-N
XLogP1.00
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-6-(1-methylpyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-6-(1-methylpyrazol-3-yl)pyrimidin-4-amine (CID 103132094) is 2-(ethoxymethyl)-6-(1-methylpyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-6-(1-methylpyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-6-(1-methylpyrazol-3-yl)pyrimidin-4-amine is CCOCc1nc(N)cc(-c2ccn(C)n2)n1.
What is the InChIKey of 2-(ethoxymethyl)-6-(1-methylpyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is YLMPYMFYMURMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-17-7-11-13-9(6-10(12)14-11)8-4-5-16(2)15-8/h4-6H,3,7H2,1-2H3,(H2,12,13,14).
What are the key properties of 2-(ethoxymethyl)-6-(1-methylpyrazol-3-yl)pyrimidin-4-amine?
2-(ethoxymethyl)-6-(1-methylpyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 233.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-6-(1-methylpyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 103132094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).