N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propanamide;hydroiodide

C15H22ClIN4O2 — CID 111630097

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propanamide;hydroiodide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCNC1=NCCCN1.I
InChIInChI=1S/C15H21ClN4O2.HI/c1-10-8-12(13(22-2)9-11(10)16)20-14(21)4-7-19-15-17-5-3-6-18-15;/h8-9H,3-7H2,1-2H3,(H,20,21)(H2,17,18,19);1H
InChIKeyRUHZLPYXUMXFME-UHFFFAOYSA-N
MW452.72 g/mol
LogP2.54
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propanamide;hydroiodide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propanamide;hydroiodide (PubChem CID 111630097) has the molecular formula C15H22ClIN4O2 and a molecular weight of 452.72 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propanamide;hydroiodide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propanamide;hydroiodide
PubChem CID111630097
Molecular FormulaC15H22ClIN4O2
Molecular Weight452.72 g/mol
Exact Mass452.05
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propanamide;hydroiodide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCNC1=NCCCN1.I
InChIInChI=1S/C15H21ClN4O2.HI/c1-10-8-12(13(22-2)9-11(10)16)20-14(21)4-7-19-15-17-5-3-6-18-15;/h8-9H,3-7H2,1-2H3,(H,20,21)(H2,17,18,19);1H
InChIKeyRUHZLPYXUMXFME-UHFFFAOYSA-N
XLogP2.54
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.72
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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3-(4-chloro-2-methoxy-5-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
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1-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide
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N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
CID 79018979
3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
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3-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
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N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride
CID 119815078
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(diaminomethylideneamino)propanamide;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propanamide;hydroiodide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propanamide;hydroiodide (CID 111630097) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propanamide;hydroiodide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propanamide;hydroiodide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propanamide;hydroiodide is COc1cc(Cl)c(C)cc1NC(=O)CCNC1=NCCCN1.I.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propanamide;hydroiodide?
The InChIKey is RUHZLPYXUMXFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O2.HI/c1-10-8-12(13(22-2)9-11(10)16)20-14(21)4-7-19-15-17-5-3-6-18-15;/h8-9H,3-7H2,1-2H3,(H,20,21)(H2,17,18,19);1H.
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propanamide;hydroiodide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propanamide;hydroiodide has a molecular weight of 452.72 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propanamide;hydroiodide is sourced from PubChem (CID 111630097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).