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

C13H21N3O2 — CID 114184642

IUPACN-(2-but-3-enoxyethyl)-6-ethoxy-2-methylpyrimidin-4-amine
SMILESC=CCCOCCNc1cc(OCC)nc(C)n1
InChIInChI=1S/C13H21N3O2/c1-4-6-8-17-9-7-14-12-10-13(18-5-2)16-11(3)15-12/h4,10H,1,5-9H2,2-3H3,(H,14,15,16)
InChIKeyGDFMVVDSVYBCKB-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.19
Rot. Bonds9

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

N-(2-but-3-enoxyethyl)-6-ethoxy-2-methylpyrimidin-4-amine (PubChem CID 114184642) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-6-ethoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-6-ethoxy-2-methylpyrimidin-4-amine
PubChem CID114184642
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(2-but-3-enoxyethyl)-6-ethoxy-2-methylpyrimidin-4-amine
SMILESC=CCCOCCNc1cc(OCC)nc(C)n1
InChIInChI=1S/C13H21N3O2/c1-4-6-8-17-9-7-14-12-10-13(18-5-2)16-11(3)15-12/h4,10H,1,5-9H2,2-3H3,(H,14,15,16)
InChIKeyGDFMVVDSVYBCKB-UHFFFAOYSA-N
XLogP2.19
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.19
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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Related Compounds

6-ethoxy-2-methyl-N-(2-prop-2-enylsulfanylethyl)pyrimidin-4-amine
CID 114187837
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
N-(2-but-3-enoxyethyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
CID 114184791
N-(2-but-3-enoxyethyl)-2-tert-butyl-6-chloropyrimidin-4-amine
CID 106405828
2-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80866216
N-(2-but-3-enoxyethyl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 106405169
6-ethoxy-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 66326268
6-heptoxy-2-methyl-N-propylpyrimidin-4-amine
CID 80862052
2-N-(2-but-3-enoxyethyl)-6-propoxypyridine-2,5-diamine
CID 106394409
1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 66324853
N-cycloheptyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 115306618
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid
CID 66332295

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-6-ethoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-6-ethoxy-2-methylpyrimidin-4-amine (CID 114184642) is N-(2-but-3-enoxyethyl)-6-ethoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-6-ethoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-6-ethoxy-2-methylpyrimidin-4-amine is C=CCCOCCNc1cc(OCC)nc(C)n1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-6-ethoxy-2-methylpyrimidin-4-amine?
The InChIKey is GDFMVVDSVYBCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-6-8-17-9-7-14-12-10-13(18-5-2)16-11(3)15-12/h4,10H,1,5-9H2,2-3H3,(H,14,15,16).
What are the key properties of N-(2-but-3-enoxyethyl)-6-ethoxy-2-methylpyrimidin-4-amine?
N-(2-but-3-enoxyethyl)-6-ethoxy-2-methylpyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 2.19, 9 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-ethoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 114184642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).