N-[3-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]acetamide;hydroiodide

C14H21IN4O2 — CID 119115387

IUPACN-[3-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]acetamide;hydroiodide
SMILESCC(=O)Nc1cccc(OCCNC2=NCCCN2)c1.I
InChIInChI=1S/C14H20N4O2.HI/c1-11(19)18-12-4-2-5-13(10-12)20-9-8-17-14-15-6-3-7-16-14;/h2,4-5,10H,3,6-9H2,1H3,(H,18,19)(H2,15,16,17);1H
InChIKeyBZLGHULFTGSPEC-UHFFFAOYSA-N
MW404.25 g/mol
LogP1.58
Rot. Bonds5

About N-[3-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]acetamide;hydroiodide

N-[3-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]acetamide;hydroiodide (PubChem CID 119115387) has the molecular formula C14H21IN4O2 and a molecular weight of 404.25 g/mol. Its IUPAC name is N-[3-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]acetamide;hydroiodide.

Molecular Properties

Compound NameN-[3-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]acetamide;hydroiodide
PubChem CID119115387
Molecular FormulaC14H21IN4O2
Molecular Weight404.25 g/mol
Exact Mass404.07
IUPAC NameN-[3-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]acetamide;hydroiodide
SMILESCC(=O)Nc1cccc(OCCNC2=NCCCN2)c1.I
InChIInChI=1S/C14H20N4O2.HI/c1-11(19)18-12-4-2-5-13(10-12)20-9-8-17-14-15-6-3-7-16-14;/h2,4-5,10H,3,6-9H2,1H3,(H,18,19)(H2,15,16,17);1H
InChIKeyBZLGHULFTGSPEC-UHFFFAOYSA-N
XLogP1.58
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butoxy]phenyl]benzamide
CID 173318243
N-[2-(4-chlorophenoxy)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110917439
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119776242
N-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110935266
N-[3-(4-oxopentoxy)phenyl]acetamide
CID 62030070
N-[3-(5-hydroxypentoxy)phenyl]acetamide
CID 62229002
N-[2-(3-acetamidophenoxy)ethyl]-2-amino-2-methylpentanamide
CID 119776248
N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 110914967
N-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride
CID 119319260
N-[3-[2-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 109469082
3-phenoxy-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82240193

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]acetamide;hydroiodide?
The IUPAC name of N-[3-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]acetamide;hydroiodide (CID 119115387) is N-[3-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]acetamide;hydroiodide.
What is the SMILES notation for N-[3-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]acetamide;hydroiodide?
The canonical SMILES for N-[3-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]acetamide;hydroiodide is CC(=O)Nc1cccc(OCCNC2=NCCCN2)c1.I.
What is the InChIKey of N-[3-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]acetamide;hydroiodide?
The InChIKey is BZLGHULFTGSPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2.HI/c1-11(19)18-12-4-2-5-13(10-12)20-9-8-17-14-15-6-3-7-16-14;/h2,4-5,10H,3,6-9H2,1H3,(H,18,19)(H2,15,16,17);1H.
What are the key properties of N-[3-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]acetamide;hydroiodide?
N-[3-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]acetamide;hydroiodide has a molecular weight of 404.25 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]acetamide;hydroiodide is sourced from PubChem (CID 119115387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).