N-methyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide;hydroiodide

C13H19IN4O — CID 110918662

IUPACN-methyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide;hydroiodide
SMILESCNC(=O)c1cccc(CNC2=NCCCN2)c1.I
InChIInChI=1S/C13H18N4O.HI/c1-14-12(18)11-5-2-4-10(8-11)9-17-13-15-6-3-7-16-13;/h2,4-5,8H,3,6-7,9H2,1H3,(H,14,18)(H2,15,16,17);1H
InChIKeyAQAVJSAEMXYUMH-UHFFFAOYSA-N
MW374.23 g/mol
LogP1.10
Rot. Bonds3

About N-methyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide;hydroiodide

N-methyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide;hydroiodide (PubChem CID 110918662) has the molecular formula C13H19IN4O and a molecular weight of 374.23 g/mol. Its IUPAC name is N-methyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide;hydroiodide.

Molecular Properties

Compound NameN-methyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide;hydroiodide
PubChem CID110918662
Molecular FormulaC13H19IN4O
Molecular Weight374.23 g/mol
Exact Mass374.06
IUPAC NameN-methyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide;hydroiodide
SMILESCNC(=O)c1cccc(CNC2=NCCCN2)c1.I
InChIInChI=1S/C13H18N4O.HI/c1-14-12(18)11-5-2-4-10(8-11)9-17-13-15-6-3-7-16-13;/h2,4-5,8H,3,6-7,9H2,1H3,(H,14,18)(H2,15,16,17);1H
InChIKeyAQAVJSAEMXYUMH-UHFFFAOYSA-N
XLogP1.10
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide
CID 119112709
N-[[3-(diethylaminomethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110916261
N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 110914967
N-[(3-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111425029
methyl 2-methoxy-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzoate;hydroiodide
CID 110930085
N-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110935266
1-[[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]methyl]pyrrolidin-2-one;hydroiodide
CID 110915322
ethyl 1-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]pyrazole-3-carboxylate;hydroiodide
CID 120655362
N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 75480286
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914500
3-ethyl-N-methylbenzamide
CID 59115297
N-ethyl-3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide
CID 120970158

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide;hydroiodide?
The IUPAC name of N-methyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide;hydroiodide (CID 110918662) is N-methyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide;hydroiodide.
What is the SMILES notation for N-methyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide;hydroiodide?
The canonical SMILES for N-methyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide;hydroiodide is CNC(=O)c1cccc(CNC2=NCCCN2)c1.I.
What is the InChIKey of N-methyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide;hydroiodide?
The InChIKey is AQAVJSAEMXYUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O.HI/c1-14-12(18)11-5-2-4-10(8-11)9-17-13-15-6-3-7-16-13;/h2,4-5,8H,3,6-7,9H2,1H3,(H,14,18)(H2,15,16,17);1H.
What are the key properties of N-methyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide;hydroiodide?
N-methyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide;hydroiodide has a molecular weight of 374.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide;hydroiodide is sourced from PubChem (CID 110918662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).