N-[2-(2,6-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

C13H18Cl2IN3 — CID 110928130

IUPACN-[2-(2,6-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCC(CNC1=NCCCN1)c1c(Cl)cccc1Cl.I
InChIInChI=1S/C13H17Cl2N3.HI/c1-9(8-18-13-16-6-3-7-17-13)12-10(14)4-2-5-11(12)15;/h2,4-5,9H,3,6-8H2,1H3,(H2,16,17,18);1H
InChIKeyUAOFVXQPDXNBBR-UHFFFAOYSA-N
MW414.12 g/mol
LogP3.65
Rot. Bonds3

About N-[2-(2,6-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

N-[2-(2,6-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 110928130) has the molecular formula C13H18Cl2IN3 and a molecular weight of 414.12 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID110928130
Molecular FormulaC13H18Cl2IN3
Molecular Weight414.12 g/mol
Exact Mass412.99
IUPAC NameN-[2-(2,6-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCC(CNC1=NCCCN1)c1c(Cl)cccc1Cl.I
InChIInChI=1S/C13H17Cl2N3.HI/c1-9(8-18-13-16-6-3-7-17-13)12-10(14)4-2-5-11(12)15;/h2,4-5,9H,3,6-8H2,1H3,(H2,16,17,18);1H
InChIKeyUAOFVXQPDXNBBR-UHFFFAOYSA-N
XLogP3.65
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.12
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 110928130) is N-[2-(2,6-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is CC(CNC1=NCCCN1)c1c(Cl)cccc1Cl.I.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is UAOFVXQPDXNBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3.HI/c1-9(8-18-13-16-6-3-7-17-13)12-10(14)4-2-5-11(12)15;/h2,4-5,9H,3,6-8H2,1H3,(H2,16,17,18);1H.
What are the key properties of N-[2-(2,6-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[2-(2,6-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 414.12 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 110928130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).