3-morpholin-4-yl-N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]propanamide;hydroiodide

C18H28IN5O2 — CID 119112776

IUPAC3-morpholin-4-yl-N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]propanamide;hydroiodide
SMILESI.O=C(CCN1CCOCC1)Nc1cccc(CNC2=NCCCN2)c1
InChIInChI=1S/C18H27N5O2.HI/c24-17(5-8-23-9-11-25-12-10-23)22-16-4-1-3-15(13-16)14-21-18-19-6-2-7-20-18;/h1,3-4,13H,2,5-12,14H2,(H,22,24)(H2,19,20,21);1H
InChIKeyQBHFDPCXFRNLMC-UHFFFAOYSA-N
MW473.36 g/mol
LogP1.40
Rot. Bonds6

About 3-morpholin-4-yl-N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]propanamide;hydroiodide

3-morpholin-4-yl-N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]propanamide;hydroiodide (PubChem CID 119112776) has the molecular formula C18H28IN5O2 and a molecular weight of 473.36 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]propanamide;hydroiodide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]propanamide;hydroiodide
PubChem CID119112776
Molecular FormulaC18H28IN5O2
Molecular Weight473.36 g/mol
Exact Mass473.13
IUPAC Name3-morpholin-4-yl-N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]propanamide;hydroiodide
SMILESI.O=C(CCN1CCOCC1)Nc1cccc(CNC2=NCCCN2)c1
InChIInChI=1S/C18H27N5O2.HI/c24-17(5-8-23-9-11-25-12-10-23)22-16-4-1-3-15(13-16)14-21-18-19-6-2-7-20-18;/h1,3-4,13H,2,5-12,14H2,(H,22,24)(H2,19,20,21);1H
InChIKeyQBHFDPCXFRNLMC-UHFFFAOYSA-N
XLogP1.40
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.36
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-morpholin-4-yl-N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]propanamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]cyclopentanecarboxamide
CID 110916589
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide
CID 119849198
3-morpholin-4-yl-N-[3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide;dihydrochloride
CID 119849221
1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849215
N-[3-[[(4-chloro-8-fluoroquinolin-7-yl)amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 133297848
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide
CID 60536022
3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide
CID 119112709
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide
CID 86937453
N-[3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 55886714
3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55946576
N-[3-[[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide;hydroiodide
CID 111000690
N-[3-[[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide;hydroiodide
CID 111957414

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]propanamide;hydroiodide?
The IUPAC name of 3-morpholin-4-yl-N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]propanamide;hydroiodide (CID 119112776) is 3-morpholin-4-yl-N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]propanamide;hydroiodide.
What is the SMILES notation for 3-morpholin-4-yl-N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]propanamide;hydroiodide?
The canonical SMILES for 3-morpholin-4-yl-N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]propanamide;hydroiodide is I.O=C(CCN1CCOCC1)Nc1cccc(CNC2=NCCCN2)c1.
What is the InChIKey of 3-morpholin-4-yl-N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]propanamide;hydroiodide?
The InChIKey is QBHFDPCXFRNLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2.HI/c24-17(5-8-23-9-11-25-12-10-23)22-16-4-1-3-15(13-16)14-21-18-19-6-2-7-20-18;/h1,3-4,13H,2,5-12,14H2,(H,22,24)(H2,19,20,21);1H.
What are the key properties of 3-morpholin-4-yl-N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]propanamide;hydroiodide?
3-morpholin-4-yl-N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]propanamide;hydroiodide has a molecular weight of 473.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]propanamide;hydroiodide is sourced from PubChem (CID 119112776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).