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

C13H26IN3 — CID 111465883

IUPACN-(4-cyclopentylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESC(CCC1CCCC1)CNC1=NCCCN1.I
InChIInChI=1S/C13H25N3.HI/c1-2-7-12(6-1)8-3-4-9-14-13-15-10-5-11-16-13;/h12H,1-11H2,(H2,14,15,16);1H
InChIKeyDOEUFMLDCZRYMN-UHFFFAOYSA-N
MW351.28 g/mol
LogP2.90
Rot. Bonds5

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

N-(4-cyclopentylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 111465883) has the molecular formula C13H26IN3 and a molecular weight of 351.28 g/mol. Its IUPAC name is N-(4-cyclopentylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-(4-cyclopentylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID111465883
Molecular FormulaC13H26IN3
Molecular Weight351.28 g/mol
Exact Mass351.12
IUPAC NameN-(4-cyclopentylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESC(CCC1CCCC1)CNC1=NCCCN1.I
InChIInChI=1S/C13H25N3.HI/c1-2-7-12(6-1)8-3-4-9-14-13-15-10-5-11-16-13;/h12H,1-11H2,(H2,14,15,16);1H
InChIKeyDOEUFMLDCZRYMN-UHFFFAOYSA-N
XLogP2.90
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-(4-cyclopentylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 111465883) is N-(4-cyclopentylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-(4-cyclopentylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-(4-cyclopentylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is C(CCC1CCCC1)CNC1=NCCCN1.I.
What is the InChIKey of N-(4-cyclopentylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is DOEUFMLDCZRYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3.HI/c1-2-7-12(6-1)8-3-4-9-14-13-15-10-5-11-16-13;/h12H,1-11H2,(H2,14,15,16);1H.
What are the key properties of N-(4-cyclopentylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-(4-cyclopentylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 351.28 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylbutyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 111465883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).