5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine

C12H18IN3 — CID 104843946

IUPAC5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
SMILESCC(C)C1CCN(c2ncc(I)cn2)CC1
InChIInChI=1S/C12H18IN3/c1-9(2)10-3-5-16(6-4-10)12-14-7-11(13)8-15-12/h7-10H,3-6H2,1-2H3
InChIKeyLRRZTTNPKDAZLQ-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.95
Rot. Bonds2

About 5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine

5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine (PubChem CID 104843946) has the molecular formula C12H18IN3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
PubChem CID104843946
Molecular FormulaC12H18IN3
Molecular Weight331.20 g/mol
Exact Mass331.05
IUPAC Name5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
SMILESCC(C)C1CCN(c2ncc(I)cn2)CC1
InChIInChI=1S/C12H18IN3/c1-9(2)10-3-5-16(6-4-10)12-14-7-11(13)8-15-12/h7-10H,3-6H2,1-2H3
InChIKeyLRRZTTNPKDAZLQ-UHFFFAOYSA-N
XLogP2.95
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.95
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

ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 145380217
ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 170578273
5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane
CID 145380179
5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 155741054
2-(4-propan-2-ylpiperidin-1-yl)pyrimidine-5-sulfinate
CID 166900854
2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine
CID 104844112
1-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]cyclobutane-1,3-diamine
CID 175562316
(3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol
CID 104843548
1-(5-iodopyrimidin-2-yl)-N-methylpiperidine-4-carboxamide
CID 104839991
2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
CID 116648613
5-chloro-2-[4-(3-methylbutan-2-yl)piperidin-1-yl]pyrimidine
CID 155179640
1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol
CID 103826127

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of 5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine (CID 104843946) is 5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine is CC(C)C1CCN(c2ncc(I)cn2)CC1.
What is the InChIKey of 5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The InChIKey is LRRZTTNPKDAZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3/c1-9(2)10-3-5-16(6-4-10)12-14-7-11(13)8-15-12/h7-10H,3-6H2,1-2H3.
What are the key properties of 5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine has a molecular weight of 331.20 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 104843946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).