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

C12H25IN4 — CID 110915612

IUPACN-[2-(4-methylpiperidin-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCC1CCN(CCNC2=NCCCN2)CC1.I
InChIInChI=1S/C12H24N4.HI/c1-11-3-8-16(9-4-11)10-7-15-12-13-5-2-6-14-12;/h11H,2-10H2,1H3,(H2,13,14,15);1H
InChIKeyZTDOUDWKKIIYPI-UHFFFAOYSA-N
MW352.26 g/mol
LogP1.28
Rot. Bonds3

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

N-[2-(4-methylpiperidin-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 110915612) has the molecular formula C12H25IN4 and a molecular weight of 352.26 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID110915612
Molecular FormulaC12H25IN4
Molecular Weight352.26 g/mol
Exact Mass352.11
IUPAC NameN-[2-(4-methylpiperidin-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESCC1CCN(CCNC2=NCCCN2)CC1.I
InChIInChI=1S/C12H24N4.HI/c1-11-3-8-16(9-4-11)10-7-15-12-13-5-2-6-14-12;/h11H,2-10H2,1H3,(H2,13,14,15);1H
InChIKeyZTDOUDWKKIIYPI-UHFFFAOYSA-N
XLogP1.28
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 51.28
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-[2-(4-methylpiperidin-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 110915612) is N-[2-(4-methylpiperidin-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is CC1CCN(CCNC2=NCCCN2)CC1.I.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is ZTDOUDWKKIIYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4.HI/c1-11-3-8-16(9-4-11)10-7-15-12-13-5-2-6-14-12;/h11H,2-10H2,1H3,(H2,13,14,15);1H.
What are the key properties of N-[2-(4-methylpiperidin-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[2-(4-methylpiperidin-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 352.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 110915612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).