N-butyl-5-iodopyrimidin-4-amine

C8H12IN3 — CID 65418648

IUPACN-butyl-5-iodopyrimidin-4-amine
SMILESCCCCNc1ncncc1I
InChIInChI=1S/C8H12IN3/c1-2-3-4-11-8-7(9)5-10-6-12-8/h5-6H,2-4H2,1H3,(H,10,11,12)
InChIKeyLCKMHHPZUVDJTN-UHFFFAOYSA-N
MW277.11 g/mol
LogP2.29
Rot. Bonds4

About N-butyl-5-iodopyrimidin-4-amine

N-butyl-5-iodopyrimidin-4-amine (PubChem CID 65418648) has the molecular formula C8H12IN3 and a molecular weight of 277.11 g/mol. Its IUPAC name is N-butyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-5-iodopyrimidin-4-amine
PubChem CID65418648
Molecular FormulaC8H12IN3
Molecular Weight277.11 g/mol
Exact Mass277.01
IUPAC NameN-butyl-5-iodopyrimidin-4-amine
SMILESCCCCNc1ncncc1I
InChIInChI=1S/C8H12IN3/c1-2-3-4-11-8-7(9)5-10-6-12-8/h5-6H,2-4H2,1H3,(H,10,11,12)
InChIKeyLCKMHHPZUVDJTN-UHFFFAOYSA-N
XLogP2.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[(5-iodopyrimidin-4-yl)amino]propan-1-ol
CID 66340103
5-iodo-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 66340148
N-[2-[(5-iodopyrimidin-4-yl)amino]ethyl]acetamide
CID 66340325
2-[(5-iodopyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106337621
5-iodo-N-(3-methylpentan-3-yl)pyrimidin-4-amine
CID 106329415
5-iodo-N-octan-2-ylpyrimidin-4-amine
CID 66340775
5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine
CID 66340980
4-butyl-5-iodopyrimidine
CID 166871786
N-cyclopropyl-4-[(5-iodopyrimidin-4-yl)amino]butanamide
CID 79401058
5-iodo-N-pentan-3-ylpyrimidin-4-amine
CID 65417577
N-[2-(chloromethyl)-2-ethylbutyl]-5-iodopyrimidin-4-amine
CID 106252724
N-butylpyrimidin-5-amine
CID 54172306

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-iodopyrimidin-4-amine?
The IUPAC name of N-butyl-5-iodopyrimidin-4-amine (CID 65418648) is N-butyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for N-butyl-5-iodopyrimidin-4-amine?
The canonical SMILES for N-butyl-5-iodopyrimidin-4-amine is CCCCNc1ncncc1I.
What is the InChIKey of N-butyl-5-iodopyrimidin-4-amine?
The InChIKey is LCKMHHPZUVDJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN3/c1-2-3-4-11-8-7(9)5-10-6-12-8/h5-6H,2-4H2,1H3,(H,10,11,12).
What are the key properties of N-butyl-5-iodopyrimidin-4-amine?
N-butyl-5-iodopyrimidin-4-amine has a molecular weight of 277.11 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 65418648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).