ethyl N-[2-[2-amino-4-(butylamino)pyrimidin-5-yl]oxyethyl]carbamate

C13H23N5O3 — CID 70856475

IUPACethyl N-[2-[2-amino-4-(butylamino)pyrimidin-5-yl]oxyethyl]carbamate
SMILESCCCCNc1nc(N)ncc1OCCNC(=O)OCC
InChIInChI=1S/C13H23N5O3/c1-3-5-6-15-11-10(9-17-12(14)18-11)21-8-7-16-13(19)20-4-2/h9H,3-8H2,1-2H3,(H,16,19)(H3,14,15,17,18)
InChIKeyAZKJNKTYTPHFKY-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.40
Rot. Bonds9

About ethyl N-[2-[2-amino-4-(butylamino)pyrimidin-5-yl]oxyethyl]carbamate

ethyl N-[2-[2-amino-4-(butylamino)pyrimidin-5-yl]oxyethyl]carbamate (PubChem CID 70856475) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is ethyl N-[2-[2-amino-4-(butylamino)pyrimidin-5-yl]oxyethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[2-amino-4-(butylamino)pyrimidin-5-yl]oxyethyl]carbamate
PubChem CID70856475
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Nameethyl N-[2-[2-amino-4-(butylamino)pyrimidin-5-yl]oxyethyl]carbamate
SMILESCCCCNc1nc(N)ncc1OCCNC(=O)OCC
InChIInChI=1S/C13H23N5O3/c1-3-5-6-15-11-10(9-17-12(14)18-11)21-8-7-16-13(19)20-4-2/h9H,3-8H2,1-2H3,(H,16,19)(H3,14,15,17,18)
InChIKeyAZKJNKTYTPHFKY-UHFFFAOYSA-N
XLogP1.40
TPSA111.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-butyl-5-[3-(3-ethoxy-4-methylphenyl)propoxy]pyrimidine-2,4-diamine
CID 134569380
CID 89037212
CID 89037212
4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine
CID 70856461
4-N-butyl-5-(pyridin-2-ylmethoxy)pyrimidine-2,4-diamine
CID 71155558
4-N-butyl-5-(5-cyclohexa-2,4-dien-1-ylpentoxy)pyrimidine-2,4-diamine
CID 134569048
4-N-butyl-5-[(5,6-dimethylcyclohexa-1,3-dien-1-yl)methoxy]pyrimidine-2,4-diamine
CID 134568892
5-N-but-3-enyl-4-N-butylpyrimidine-2,4,5-triamine
CID 135252889
4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 134568943
3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptyl N-ethylcarbamate
CID 130357948
4-N-butyl-5-[(2-methyl-2,3-dihydropyridin-6-yl)methoxy]pyrimidine-2,4-diamine
CID 134569361
4-N-butyl-5-hexylpyrimidine-2,4-diamine
CID 123602752
4-N-butyl-5-[[5-(1,1-difluoropropyl)furan-2-yl]methoxy]pyrimidine-2,4-diamine
CID 123251818

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[2-amino-4-(butylamino)pyrimidin-5-yl]oxyethyl]carbamate?
The IUPAC name of ethyl N-[2-[2-amino-4-(butylamino)pyrimidin-5-yl]oxyethyl]carbamate (CID 70856475) is ethyl N-[2-[2-amino-4-(butylamino)pyrimidin-5-yl]oxyethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[2-amino-4-(butylamino)pyrimidin-5-yl]oxyethyl]carbamate?
The canonical SMILES for ethyl N-[2-[2-amino-4-(butylamino)pyrimidin-5-yl]oxyethyl]carbamate is CCCCNc1nc(N)ncc1OCCNC(=O)OCC.
What is the InChIKey of ethyl N-[2-[2-amino-4-(butylamino)pyrimidin-5-yl]oxyethyl]carbamate?
The InChIKey is AZKJNKTYTPHFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-3-5-6-15-11-10(9-17-12(14)18-11)21-8-7-16-13(19)20-4-2/h9H,3-8H2,1-2H3,(H,16,19)(H3,14,15,17,18).
What are the key properties of ethyl N-[2-[2-amino-4-(butylamino)pyrimidin-5-yl]oxyethyl]carbamate?
ethyl N-[2-[2-amino-4-(butylamino)pyrimidin-5-yl]oxyethyl]carbamate has a molecular weight of 297.36 g/mol, XLogP of 1.40, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[2-amino-4-(butylamino)pyrimidin-5-yl]oxyethyl]carbamate is sourced from PubChem (CID 70856475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).