N'-methyl-N'-phenyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;hydroiodide

C14H23IN4 — CID 110914236

IUPACN'-methyl-N'-phenyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;hydroiodide
SMILESCN(CCCNC1=NCCCN1)c1ccccc1.I
InChIInChI=1S/C14H22N4.HI/c1-18(13-7-3-2-4-8-13)12-6-11-17-14-15-9-5-10-16-14;/h2-4,7-8H,5-6,9-12H2,1H3,(H2,15,16,17);1H
InChIKeyUFMHAOWWYQXELV-UHFFFAOYSA-N
MW374.27 g/mol
LogP2.07
Rot. Bonds5

About N'-methyl-N'-phenyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;hydroiodide

N'-methyl-N'-phenyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;hydroiodide (PubChem CID 110914236) has the molecular formula C14H23IN4 and a molecular weight of 374.27 g/mol. Its IUPAC name is N'-methyl-N'-phenyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N'-phenyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;hydroiodide
PubChem CID110914236
Molecular FormulaC14H23IN4
Molecular Weight374.27 g/mol
Exact Mass374.10
IUPAC NameN'-methyl-N'-phenyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;hydroiodide
SMILESCN(CCCNC1=NCCCN1)c1ccccc1.I
InChIInChI=1S/C14H22N4.HI/c1-18(13-7-3-2-4-8-13)12-6-11-17-14-15-9-5-10-16-14;/h2-4,7-8H,5-6,9-12H2,1H3,(H2,15,16,17);1H
InChIKeyUFMHAOWWYQXELV-UHFFFAOYSA-N
XLogP2.07
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913867
N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 29068124
N-(4,4-diphenylbutyl)-1,4,5,6,7,8-hexahydro-1,3-diazocin-2-amine;hydrochloride
CID 19820468
N-[2-(benzenesulfonyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112973
2-N,2-N-dimethyl-3-phenyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine;hydroiodide
CID 110913703
N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 75480286
N'-cyclohexyl-N'-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine
CID 110918477
N-[3-(2-methoxyphenoxy)propyl]-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine
CID 18980285
N-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918605
N-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-amine
CID 19820500
3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one
CID 115656911
N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 60631387

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-phenyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;hydroiodide?
The IUPAC name of N'-methyl-N'-phenyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;hydroiodide (CID 110914236) is N'-methyl-N'-phenyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;hydroiodide.
What is the SMILES notation for N'-methyl-N'-phenyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;hydroiodide?
The canonical SMILES for N'-methyl-N'-phenyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;hydroiodide is CN(CCCNC1=NCCCN1)c1ccccc1.I.
What is the InChIKey of N'-methyl-N'-phenyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;hydroiodide?
The InChIKey is UFMHAOWWYQXELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4.HI/c1-18(13-7-3-2-4-8-13)12-6-11-17-14-15-9-5-10-16-14;/h2-4,7-8H,5-6,9-12H2,1H3,(H2,15,16,17);1H.
What are the key properties of N'-methyl-N'-phenyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;hydroiodide?
N'-methyl-N'-phenyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;hydroiodide has a molecular weight of 374.27 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-phenyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;hydroiodide is sourced from PubChem (CID 110914236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).