N-(2-but-3-enoxyethyl)-6-methoxy-5-methylpyrimidin-4-amine

C12H19N3O2 — CID 114184626

IUPACN-(2-but-3-enoxyethyl)-6-methoxy-5-methylpyrimidin-4-amine
SMILESC=CCCOCCNc1ncnc(OC)c1C
InChIInChI=1S/C12H19N3O2/c1-4-5-7-17-8-6-13-11-10(2)12(16-3)15-9-14-11/h4,9H,1,5-8H2,2-3H3,(H,13,14,15)
InChIKeyVTADDZQBLKFKGY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.80
Rot. Bonds8

About N-(2-but-3-enoxyethyl)-6-methoxy-5-methylpyrimidin-4-amine

N-(2-but-3-enoxyethyl)-6-methoxy-5-methylpyrimidin-4-amine (PubChem CID 114184626) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-6-methoxy-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-6-methoxy-5-methylpyrimidin-4-amine
PubChem CID114184626
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(2-but-3-enoxyethyl)-6-methoxy-5-methylpyrimidin-4-amine
SMILESC=CCCOCCNc1ncnc(OC)c1C
InChIInChI=1S/C12H19N3O2/c1-4-5-7-17-8-6-13-11-10(2)12(16-3)15-9-14-11/h4,9H,1,5-8H2,2-3H3,(H,13,14,15)
InChIKeyVTADDZQBLKFKGY-UHFFFAOYSA-N
XLogP1.80
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-6-methoxy-5-methylpyrimidin-4-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-6-methoxy-5-methylpyrimidin-4-amine (CID 114184626) is N-(2-but-3-enoxyethyl)-6-methoxy-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-6-methoxy-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-6-methoxy-5-methylpyrimidin-4-amine is C=CCCOCCNc1ncnc(OC)c1C.
What is the InChIKey of N-(2-but-3-enoxyethyl)-6-methoxy-5-methylpyrimidin-4-amine?
The InChIKey is VTADDZQBLKFKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-5-7-17-8-6-13-11-10(2)12(16-3)15-9-14-11/h4,9H,1,5-8H2,2-3H3,(H,13,14,15).
What are the key properties of N-(2-but-3-enoxyethyl)-6-methoxy-5-methylpyrimidin-4-amine?
N-(2-but-3-enoxyethyl)-6-methoxy-5-methylpyrimidin-4-amine has a molecular weight of 237.30 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-6-methoxy-5-methylpyrimidin-4-amine is sourced from PubChem (CID 114184626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).