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

C15H25IN4 — CID 110913703

IUPAC2-N,2-N-dimethyl-3-phenyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine;hydroiodide
SMILESCN(C)C(CNC1=NCCCN1)Cc1ccccc1.I
InChIInChI=1S/C15H24N4.HI/c1-19(2)14(11-13-7-4-3-5-8-13)12-18-15-16-9-6-10-17-15;/h3-5,7-8,14H,6,9-12H2,1-2H3,(H2,16,17,18);1H
InChIKeyXGOBUZUNJCMHIO-UHFFFAOYSA-N
MW388.30 g/mol
LogP1.72
Rot. Bonds5

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

2-N,2-N-dimethyl-3-phenyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine;hydroiodide (PubChem CID 110913703) has the molecular formula C15H25IN4 and a molecular weight of 388.30 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-3-phenyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine;hydroiodide.

Molecular Properties

Compound Name2-N,2-N-dimethyl-3-phenyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine;hydroiodide
PubChem CID110913703
Molecular FormulaC15H25IN4
Molecular Weight388.30 g/mol
Exact Mass388.11
IUPAC Name2-N,2-N-dimethyl-3-phenyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine;hydroiodide
SMILESCN(C)C(CNC1=NCCCN1)Cc1ccccc1.I
InChIInChI=1S/C15H24N4.HI/c1-19(2)14(11-13-7-4-3-5-8-13)12-18-15-16-9-6-10-17-15;/h3-5,7-8,14H,6,9-12H2,1-2H3,(H2,16,17,18);1H
InChIKeyXGOBUZUNJCMHIO-UHFFFAOYSA-N
XLogP1.72
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-3-phenyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine;hydroiodide?
The IUPAC name of 2-N,2-N-dimethyl-3-phenyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine;hydroiodide (CID 110913703) is 2-N,2-N-dimethyl-3-phenyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine;hydroiodide.
What is the SMILES notation for 2-N,2-N-dimethyl-3-phenyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine;hydroiodide?
The canonical SMILES for 2-N,2-N-dimethyl-3-phenyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine;hydroiodide is CN(C)C(CNC1=NCCCN1)Cc1ccccc1.I.
What is the InChIKey of 2-N,2-N-dimethyl-3-phenyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine;hydroiodide?
The InChIKey is XGOBUZUNJCMHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4.HI/c1-19(2)14(11-13-7-4-3-5-8-13)12-18-15-16-9-6-10-17-15;/h3-5,7-8,14H,6,9-12H2,1-2H3,(H2,16,17,18);1H.
What are the key properties of 2-N,2-N-dimethyl-3-phenyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine;hydroiodide?
2-N,2-N-dimethyl-3-phenyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine;hydroiodide has a molecular weight of 388.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-3-phenyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine;hydroiodide is sourced from PubChem (CID 110913703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).