N-(2-but-3-enoxyethyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine

C13H20ClN3O2 — CID 114184791

IUPACN-(2-but-3-enoxyethyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
SMILESC=CCCOCCNc1cc(Cl)nc(COCC)n1
InChIInChI=1S/C13H20ClN3O2/c1-3-5-7-19-8-6-15-12-9-11(14)16-13(17-12)10-18-4-2/h3,9H,1,4-8,10H2,2H3,(H,15,16,17)
InChIKeyZSIUXMWGMCBRRU-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.67
Rot. Bonds10

About N-(2-but-3-enoxyethyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine

N-(2-but-3-enoxyethyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine (PubChem CID 114184791) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
PubChem CID114184791
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC NameN-(2-but-3-enoxyethyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
SMILESC=CCCOCCNc1cc(Cl)nc(COCC)n1
InChIInChI=1S/C13H20ClN3O2/c1-3-5-7-19-8-6-15-12-9-11(14)16-13(17-12)10-18-4-2/h3,9H,1,4-8,10H2,2H3,(H,15,16,17)
InChIKeyZSIUXMWGMCBRRU-UHFFFAOYSA-N
XLogP2.67
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.67
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)-2-tert-butyl-6-chloropyrimidin-4-amine
CID 106405828
6-chloro-2-(ethoxymethyl)-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 113450725
6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 113400806
6-chloro-2-(ethoxymethyl)-N-[(E)-pent-3-enyl]pyrimidin-4-amine
CID 106195868
N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 113400798
N-(2-but-3-enoxyethyl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 114184642
6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82463136
6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
CID 106432075
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-(ethoxymethyl)pyrimidin-4-amine
CID 106197293
N-(2-but-3-enoxyethyl)-6-chloro-4-nitropyridin-2-amine
CID 103889042
6-chloro-2-(ethoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 106038178
4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol
CID 106196664

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine (CID 114184791) is N-(2-but-3-enoxyethyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine is C=CCCOCCNc1cc(Cl)nc(COCC)n1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine?
The InChIKey is ZSIUXMWGMCBRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-3-5-7-19-8-6-15-12-9-11(14)16-13(17-12)10-18-4-2/h3,9H,1,4-8,10H2,2H3,(H,15,16,17).
What are the key properties of N-(2-but-3-enoxyethyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine?
N-(2-but-3-enoxyethyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine has a molecular weight of 285.78 g/mol, XLogP of 2.67, 10 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-chloro-2-(ethoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 114184791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).