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

C13H21N3O2 — CID 106405169

IUPACN-(2-but-3-enoxyethyl)-6-ethoxy-5-methylpyrimidin-4-amine
SMILESC=CCCOCCNc1ncnc(OCC)c1C
InChIInChI=1S/C13H21N3O2/c1-4-6-8-17-9-7-14-12-11(3)13(18-5-2)16-10-15-12/h4,10H,1,5-9H2,2-3H3,(H,14,15,16)
InChIKeyDIBMTIPPSINWAG-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.19
Rot. Bonds9

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

N-(2-but-3-enoxyethyl)-6-ethoxy-5-methylpyrimidin-4-amine (PubChem CID 106405169) 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-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-6-ethoxy-5-methylpyrimidin-4-amine
PubChem CID106405169
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(2-but-3-enoxyethyl)-6-ethoxy-5-methylpyrimidin-4-amine
SMILESC=CCCOCCNc1ncnc(OCC)c1C
InChIInChI=1S/C13H21N3O2/c1-4-6-8-17-9-7-14-12-11(3)13(18-5-2)16-10-15-12/h4,10H,1,5-9H2,2-3H3,(H,14,15,16)
InChIKeyDIBMTIPPSINWAG-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

N-(2-but-3-enoxyethyl)-6-methoxy-5-methylpyrimidin-4-amine
CID 114184626
N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 114098261
6-ethoxy-5-methyl-N-pent-3-ynylpyrimidin-4-amine
CID 116644552
6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine
CID 115326240
methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate
CID 66326780
6-ethoxy-5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-4-amine
CID 66326429
N-(2-but-3-enoxyethyl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 114184642
6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 66326862
4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
CID 66326842
3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 66325613
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
CID 66326356
5-methyl-6-pentoxy-N-propylpyrimidin-4-amine
CID 80866591

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-6-ethoxy-5-methylpyrimidin-4-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-6-ethoxy-5-methylpyrimidin-4-amine (CID 106405169) is N-(2-but-3-enoxyethyl)-6-ethoxy-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-6-ethoxy-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-6-ethoxy-5-methylpyrimidin-4-amine is C=CCCOCCNc1ncnc(OCC)c1C.
What is the InChIKey of N-(2-but-3-enoxyethyl)-6-ethoxy-5-methylpyrimidin-4-amine?
The InChIKey is DIBMTIPPSINWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-6-8-17-9-7-14-12-11(3)13(18-5-2)16-10-15-12/h4,10H,1,5-9H2,2-3H3,(H,14,15,16).
What are the key properties of N-(2-but-3-enoxyethyl)-6-ethoxy-5-methylpyrimidin-4-amine?
N-(2-but-3-enoxyethyl)-6-ethoxy-5-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-5-methylpyrimidin-4-amine is sourced from PubChem (CID 106405169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).