N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

C15H31IN4 — CID 110915291

IUPACN-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCC1CCN(C(CNC2=NCCCN2)C(C)C)CC1.I
InChIInChI=1S/C15H30N4.HI/c1-12(2)14(19-9-5-13(3)6-10-19)11-18-15-16-7-4-8-17-15;/h12-14H,4-11H2,1-3H3,(H2,16,17,18);1H
InChIKeyYEKZXIZUYMHRAD-UHFFFAOYSA-N
MW394.35 g/mol
LogP2.30
Rot. Bonds4

About N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 110915291) has the molecular formula C15H31IN4 and a molecular weight of 394.35 g/mol. Its IUPAC name is N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID110915291
Molecular FormulaC15H31IN4
Molecular Weight394.35 g/mol
Exact Mass394.16
IUPAC NameN-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCC1CCN(C(CNC2=NCCCN2)C(C)C)CC1.I
InChIInChI=1S/C15H30N4.HI/c1-12(2)14(19-9-5-13(3)6-10-19)11-18-15-16-7-4-8-17-15;/h12-14H,4-11H2,1-3H3,(H2,16,17,18);1H
InChIKeyYEKZXIZUYMHRAD-UHFFFAOYSA-N
XLogP2.30
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 52.30
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 N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 110915291) is N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is CC1CCN(C(CNC2=NCCCN2)C(C)C)CC1.I.
What is the InChIKey of N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is YEKZXIZUYMHRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4.HI/c1-12(2)14(19-9-5-13(3)6-10-19)11-18-15-16-7-4-8-17-15;/h12-14H,4-11H2,1-3H3,(H2,16,17,18);1H.
What are the key properties of N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 394.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 110915291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).