5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine

C12H18IN3 — CID 104844386

IUPAC5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine
SMILESCCCC1CCCCN1c1ncc(I)cn1
InChIInChI=1S/C12H18IN3/c1-2-5-11-6-3-4-7-16(11)12-14-8-10(13)9-15-12/h8-9,11H,2-7H2,1H3
InChIKeyHWSXGLPNKAQXEP-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.24
Rot. Bonds3

About 5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine

5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine (PubChem CID 104844386) has the molecular formula C12H18IN3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine
PubChem CID104844386
Molecular FormulaC12H18IN3
Molecular Weight331.20 g/mol
Exact Mass331.05
IUPAC Name5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine
SMILESCCCC1CCCCN1c1ncc(I)cn1
InChIInChI=1S/C12H18IN3/c1-2-5-11-6-3-4-7-16(11)12-14-8-10(13)9-15-12/h8-9,11H,2-7H2,1H3
InChIKeyHWSXGLPNKAQXEP-UHFFFAOYSA-N
XLogP3.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(5-iodopyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 116648606
2-[2-(bromomethyl)pyrrolidin-1-yl]-5-iodopyrimidine
CID 116649552
5-bromo-2-(2-propylpiperidin-1-yl)pyridin-3-amine
CID 83052128
3-(2-propylpiperidin-1-yl)pyrazin-2-amine
CID 104577126
[2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine
CID 104690773
[5-(2-propylpiperidin-1-yl)pyrazin-2-yl]methanol
CID 107372941
N-[[5-bromo-2-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 83045774
5-methyl-6-(2-propylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 83055806
2-bromo-6-(2-propylpiperidin-1-yl)pyridine
CID 83056141
5-bromo-2-chloro-4-(2-propylpiperidin-1-yl)pyrimidine
CID 83056222
5-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-amine
CID 83057694
5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine
CID 130534027

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine?
The IUPAC name of 5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine (CID 104844386) is 5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine is CCCC1CCCCN1c1ncc(I)cn1.
What is the InChIKey of 5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine?
The InChIKey is HWSXGLPNKAQXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3/c1-2-5-11-6-3-4-7-16(11)12-14-8-10(13)9-15-12/h8-9,11H,2-7H2,1H3.
What are the key properties of 5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine?
5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine has a molecular weight of 331.20 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 104844386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).