2-(5-iodopyrimidin-4-yl)pentan-3-amine

C9H14IN3 — CID 66318900

IUPAC2-(5-iodopyrimidin-4-yl)pentan-3-amine
SMILESCCC(N)C(C)c1ncncc1I
InChIInChI=1S/C9H14IN3/c1-3-8(11)6(2)9-7(10)4-12-5-13-9/h4-6,8H,3,11H2,1-2H3
InChIKeyFIHYPCOTDFHCKY-UHFFFAOYSA-N
MW291.14 g/mol
LogP1.92
Rot. Bonds3

About 2-(5-iodopyrimidin-4-yl)pentan-3-amine

2-(5-iodopyrimidin-4-yl)pentan-3-amine (PubChem CID 66318900) has the molecular formula C9H14IN3 and a molecular weight of 291.14 g/mol. Its IUPAC name is 2-(5-iodopyrimidin-4-yl)pentan-3-amine.

Molecular Properties

Compound Name2-(5-iodopyrimidin-4-yl)pentan-3-amine
PubChem CID66318900
Molecular FormulaC9H14IN3
Molecular Weight291.14 g/mol
Exact Mass291.02
IUPAC Name2-(5-iodopyrimidin-4-yl)pentan-3-amine
SMILESCCC(N)C(C)c1ncncc1I
InChIInChI=1S/C9H14IN3/c1-3-8(11)6(2)9-7(10)4-12-5-13-9/h4-6,8H,3,11H2,1-2H3
InChIKeyFIHYPCOTDFHCKY-UHFFFAOYSA-N
XLogP1.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorobutan-2-yl)-5-iodopyrimidine
CID 66318463
2-(5-iodopyrimidin-4-yl)pentanoic acid
CID 104572036
5-iodo-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 66342786
5-iodo-N-pentan-3-ylpyrimidin-4-amine
CID 65417577
4-(2-bromobutyl)-5-iodopyrimidine
CID 66319811
5-butan-2-yl-4-propan-2-ylpyrimidine
CID 126657195
4-ethylsulfanyl-5-iodopyrimidine
CID 66318489
N,N-diethyl-2-(5-iodopyrimidin-4-yl)oxyethanamine
CID 66320495
1-(5-iodopyrimidin-4-yl)-3-methoxypropan-2-amine
CID 66320932
4-butyl-5-iodopyrimidine
CID 166871786
5-iodo-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
CID 66319257
3-[(5-iodopyrimidin-4-yl)amino]butan-2-ol
CID 131123319

Frequently Asked Questions

What is the IUPAC name of 2-(5-iodopyrimidin-4-yl)pentan-3-amine?
The IUPAC name of 2-(5-iodopyrimidin-4-yl)pentan-3-amine (CID 66318900) is 2-(5-iodopyrimidin-4-yl)pentan-3-amine.
What is the SMILES notation for 2-(5-iodopyrimidin-4-yl)pentan-3-amine?
The canonical SMILES for 2-(5-iodopyrimidin-4-yl)pentan-3-amine is CCC(N)C(C)c1ncncc1I.
What is the InChIKey of 2-(5-iodopyrimidin-4-yl)pentan-3-amine?
The InChIKey is FIHYPCOTDFHCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3/c1-3-8(11)6(2)9-7(10)4-12-5-13-9/h4-6,8H,3,11H2,1-2H3.
What are the key properties of 2-(5-iodopyrimidin-4-yl)pentan-3-amine?
2-(5-iodopyrimidin-4-yl)pentan-3-amine has a molecular weight of 291.14 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodopyrimidin-4-yl)pentan-3-amine is sourced from PubChem (CID 66318900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).