N-butan-2-yl-5-iodopyrimidin-2-amine

C8H12IN3 — CID 104839757

IUPACN-butan-2-yl-5-iodopyrimidin-2-amine
SMILESCCC(C)Nc1ncc(I)cn1
InChIInChI=1S/C8H12IN3/c1-3-6(2)12-8-10-4-7(9)5-11-8/h4-6H,3H2,1-2H3,(H,10,11,12)
InChIKeyCKKVXWOSFWDRSC-UHFFFAOYSA-N
MW277.11 g/mol
LogP2.29
Rot. Bonds3

About N-butan-2-yl-5-iodopyrimidin-2-amine

N-butan-2-yl-5-iodopyrimidin-2-amine (PubChem CID 104839757) has the molecular formula C8H12IN3 and a molecular weight of 277.11 g/mol. Its IUPAC name is N-butan-2-yl-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-iodopyrimidin-2-amine
PubChem CID104839757
Molecular FormulaC8H12IN3
Molecular Weight277.11 g/mol
Exact Mass277.01
IUPAC NameN-butan-2-yl-5-iodopyrimidin-2-amine
SMILESCCC(C)Nc1ncc(I)cn1
InChIInChI=1S/C8H12IN3/c1-3-6(2)12-8-10-4-7(9)5-11-8/h4-6H,3H2,1-2H3,(H,10,11,12)
InChIKeyCKKVXWOSFWDRSC-UHFFFAOYSA-N
XLogP2.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 52.29
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

5-iodo-N-pentan-2-ylpyrimidin-2-amine
CID 104840001
N-butan-2-yl-5-methylpyrimidin-2-amine
CID 63208225
3-N-(5-iodopyrimidin-2-yl)butane-1,3-diamine
CID 116649653
N-(1-chlorobutan-2-yl)-5-iodopyrimidin-2-amine
CID 116649507
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
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
(2S)-1-[(5-iodopyrimidin-2-yl)amino]butan-2-ol
CID 130683912
N-(1-chloro-4,4-dimethylpentan-3-yl)-5-iodopyrimidin-2-amine
CID 106354463
5-iodo-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-2-amine
CID 102907842
5-iodo-N-(3-methylbutyl)pyrimidin-2-amine
CID 115620521

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-iodopyrimidin-2-amine?
The IUPAC name of N-butan-2-yl-5-iodopyrimidin-2-amine (CID 104839757) is N-butan-2-yl-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-butan-2-yl-5-iodopyrimidin-2-amine?
The canonical SMILES for N-butan-2-yl-5-iodopyrimidin-2-amine is CCC(C)Nc1ncc(I)cn1.
What is the InChIKey of N-butan-2-yl-5-iodopyrimidin-2-amine?
The InChIKey is CKKVXWOSFWDRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN3/c1-3-6(2)12-8-10-4-7(9)5-11-8/h4-6H,3H2,1-2H3,(H,10,11,12).
What are the key properties of N-butan-2-yl-5-iodopyrimidin-2-amine?
N-butan-2-yl-5-iodopyrimidin-2-amine has a molecular weight of 277.11 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-iodopyrimidin-2-amine is sourced from PubChem (CID 104839757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).