5-iodo-N-pentan-2-ylpyrimidin-2-amine

C9H14IN3 — CID 104840001

IUPAC5-iodo-N-pentan-2-ylpyrimidin-2-amine
SMILESCCCC(C)Nc1ncc(I)cn1
InChIInChI=1S/C9H14IN3/c1-3-4-7(2)13-9-11-5-8(10)6-12-9/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeySXUPNEAJABSETM-UHFFFAOYSA-N
MW291.14 g/mol
LogP2.68
Rot. Bonds4

About 5-iodo-N-pentan-2-ylpyrimidin-2-amine

5-iodo-N-pentan-2-ylpyrimidin-2-amine (PubChem CID 104840001) has the molecular formula C9H14IN3 and a molecular weight of 291.14 g/mol. Its IUPAC name is 5-iodo-N-pentan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-pentan-2-ylpyrimidin-2-amine
PubChem CID104840001
Molecular FormulaC9H14IN3
Molecular Weight291.14 g/mol
Exact Mass291.02
IUPAC Name5-iodo-N-pentan-2-ylpyrimidin-2-amine
SMILESCCCC(C)Nc1ncc(I)cn1
InChIInChI=1S/C9H14IN3/c1-3-4-7(2)13-9-11-5-8(10)6-12-9/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeySXUPNEAJABSETM-UHFFFAOYSA-N
XLogP2.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 52.68
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

N-butan-2-yl-5-iodopyrimidin-2-amine
CID 104839757
3-N-(5-iodopyrimidin-2-yl)butane-1,3-diamine
CID 116649653
N-(3,3-difluorobutan-2-yl)-5-iodopyrimidin-2-amine
CID 127006742
N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine
CID 104840074
5-iodo-N-(3-methylbutyl)pyrimidin-2-amine
CID 115620521
N-(1-chloro-4,4-dimethylpentan-3-yl)-5-iodopyrimidin-2-amine
CID 106354463
5-fluoro-N-octan-2-ylpyrimidin-2-amine
CID 115750005
N-(1-chlorobutan-2-yl)-5-iodopyrimidin-2-amine
CID 116649507
N-(4-bromo-3-methylbutan-2-yl)-5-iodopyrimidin-2-amine
CID 116649597
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-iodopyrimidin-2-amine
CID 104844066
N-butan-2-yl-5-methylpyrimidin-2-amine
CID 63208225
(3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol
CID 130617035

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-pentan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-iodo-N-pentan-2-ylpyrimidin-2-amine (CID 104840001) is 5-iodo-N-pentan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-pentan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-pentan-2-ylpyrimidin-2-amine is CCCC(C)Nc1ncc(I)cn1.
What is the InChIKey of 5-iodo-N-pentan-2-ylpyrimidin-2-amine?
The InChIKey is SXUPNEAJABSETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3/c1-3-4-7(2)13-9-11-5-8(10)6-12-9/h5-7H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 5-iodo-N-pentan-2-ylpyrimidin-2-amine?
5-iodo-N-pentan-2-ylpyrimidin-2-amine has a molecular weight of 291.14 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-pentan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 104840001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).