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

C13H24IN3 — CID 86777910

IUPACN-(2-cyclohexylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESC1CCC(C2CC2NC2=NCCCN2)CC1.I
InChIInChI=1S/C13H23N3.HI/c1-2-5-10(6-3-1)11-9-12(11)16-13-14-7-4-8-15-13;/h10-12H,1-9H2,(H2,14,15,16);1H
InChIKeyCNFLACVPSZODLL-UHFFFAOYSA-N
MW349.26 g/mol
LogP2.51
Rot. Bonds2

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

N-(2-cyclohexylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 86777910) has the molecular formula C13H24IN3 and a molecular weight of 349.26 g/mol. Its IUPAC name is N-(2-cyclohexylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-(2-cyclohexylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID86777910
Molecular FormulaC13H24IN3
Molecular Weight349.26 g/mol
Exact Mass349.10
IUPAC NameN-(2-cyclohexylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESC1CCC(C2CC2NC2=NCCCN2)CC1.I
InChIInChI=1S/C13H23N3.HI/c1-2-5-10(6-3-1)11-9-12(11)16-13-14-7-4-8-15-13;/h10-12H,1-9H2,(H2,14,15,16);1H
InChIKeyCNFLACVPSZODLL-UHFFFAOYSA-N
XLogP2.51
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 52.51
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-cyclohexylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-(2-cyclohexylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 86777910) is N-(2-cyclohexylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-(2-cyclohexylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-(2-cyclohexylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is C1CCC(C2CC2NC2=NCCCN2)CC1.I.
What is the InChIKey of N-(2-cyclohexylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is CNFLACVPSZODLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3.HI/c1-2-5-10(6-3-1)11-9-12(11)16-13-14-7-4-8-15-13;/h10-12H,1-9H2,(H2,14,15,16);1H.
What are the key properties of N-(2-cyclohexylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-(2-cyclohexylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 349.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 86777910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).