N-(2-phenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

C13H20IN3 — CID 110913758

IUPACN-(2-phenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCC(CNC1=NCCCN1)c1ccccc1.I
InChIInChI=1S/C13H19N3.HI/c1-11(12-6-3-2-4-7-12)10-16-13-14-8-5-9-15-13;/h2-4,6-7,11H,5,8-10H2,1H3,(H2,14,15,16);1H
InChIKeyQCUXUPYWTRSDDK-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.35
Rot. Bonds3

About N-(2-phenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

N-(2-phenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 110913758) has the molecular formula C13H20IN3 and a molecular weight of 345.23 g/mol. Its IUPAC name is N-(2-phenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-(2-phenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID110913758
Molecular FormulaC13H20IN3
Molecular Weight345.23 g/mol
Exact Mass345.07
IUPAC NameN-(2-phenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCC(CNC1=NCCCN1)c1ccccc1.I
InChIInChI=1S/C13H19N3.HI/c1-11(12-6-3-2-4-7-12)10-16-13-14-8-5-9-15-13;/h2-4,6-7,11H,5,8-10H2,1H3,(H2,14,15,16);1H
InChIKeyQCUXUPYWTRSDDK-UHFFFAOYSA-N
XLogP2.35
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-1-phenyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide
CID 110913651
N-[2-(2,6-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110928130
tert-butyl N-[1-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]carbamate;hydroiodide
CID 111465379
2-N,2-N-dimethyl-3-phenyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine;hydroiodide
CID 110913703
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110925611
N-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-amine
CID 19820500
N-[2-(4-methylphenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111465522
1-(2-chlorophenyl)-N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide
CID 75418967
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914146
(1R)-1-(4-fluorophenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethanol
CID 120580394
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913867
N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-thiophen-3-ylethane-1,2-diamine
CID 110915302

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-(2-phenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 110913758) is N-(2-phenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-(2-phenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-(2-phenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is CC(CNC1=NCCCN1)c1ccccc1.I.
What is the InChIKey of N-(2-phenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is QCUXUPYWTRSDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3.HI/c1-11(12-6-3-2-4-7-12)10-16-13-14-8-5-9-15-13;/h2-4,6-7,11H,5,8-10H2,1H3,(H2,14,15,16);1H.
What are the key properties of N-(2-phenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-(2-phenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 345.23 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 110913758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).