2-[2-methoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenoxy]acetamide;hydroiodide

C14H21IN4O3 — CID 119113056

IUPAC2-[2-methoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenoxy]acetamide;hydroiodide
SMILESCOc1cc(CNC2=NCCCN2)ccc1OCC(N)=O.I
InChIInChI=1S/C14H20N4O3.HI/c1-20-12-7-10(3-4-11(12)21-9-13(15)19)8-18-14-16-5-2-6-17-14;/h3-4,7H,2,5-6,8-9H2,1H3,(H2,15,19)(H2,16,17,18);1H
InChIKeyGWSNQOOXWFIJMZ-UHFFFAOYSA-N
MW420.25 g/mol
LogP0.62
Rot. Bonds6

About 2-[2-methoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenoxy]acetamide;hydroiodide

2-[2-methoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenoxy]acetamide;hydroiodide (PubChem CID 119113056) has the molecular formula C14H21IN4O3 and a molecular weight of 420.25 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenoxy]acetamide;hydroiodide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenoxy]acetamide;hydroiodide
PubChem CID119113056
Molecular FormulaC14H21IN4O3
Molecular Weight420.25 g/mol
Exact Mass420.07
IUPAC Name2-[2-methoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenoxy]acetamide;hydroiodide
SMILESCOc1cc(CNC2=NCCCN2)ccc1OCC(N)=O.I
InChIInChI=1S/C14H20N4O3.HI/c1-20-12-7-10(3-4-11(12)21-9-13(15)19)8-18-14-16-5-2-6-17-14;/h3-4,7H,2,5-6,8-9H2,1H3,(H2,15,19)(H2,16,17,18);1H
InChIKeyGWSNQOOXWFIJMZ-UHFFFAOYSA-N
XLogP0.62
TPSA97.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.25
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methoxy-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzoate;hydroiodide
CID 110930085
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110916050
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914500
1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine
CID 3044563
2,6-dimethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110927517
2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110935572
2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
CID 129301598
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527
N-[(2,4,5-trimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914310
N-[(2,5-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112672
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 119295341
3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide
CID 119112709

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenoxy]acetamide;hydroiodide?
The IUPAC name of 2-[2-methoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenoxy]acetamide;hydroiodide (CID 119113056) is 2-[2-methoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenoxy]acetamide;hydroiodide.
What is the SMILES notation for 2-[2-methoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenoxy]acetamide;hydroiodide?
The canonical SMILES for 2-[2-methoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenoxy]acetamide;hydroiodide is COc1cc(CNC2=NCCCN2)ccc1OCC(N)=O.I.
What is the InChIKey of 2-[2-methoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenoxy]acetamide;hydroiodide?
The InChIKey is GWSNQOOXWFIJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3.HI/c1-20-12-7-10(3-4-11(12)21-9-13(15)19)8-18-14-16-5-2-6-17-14;/h3-4,7H,2,5-6,8-9H2,1H3,(H2,15,19)(H2,16,17,18);1H.
What are the key properties of 2-[2-methoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenoxy]acetamide;hydroiodide?
2-[2-methoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenoxy]acetamide;hydroiodide has a molecular weight of 420.25 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenoxy]acetamide;hydroiodide is sourced from PubChem (CID 119113056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).