4-butoxy-5-iodo-6-methylpyrimidin-2-amine

C9H14IN3O — CID 135260417

IUPAC4-butoxy-5-iodo-6-methylpyrimidin-2-amine
SMILESCCCCOc1nc(N)nc(C)c1I
InChIInChI=1S/C9H14IN3O/c1-3-4-5-14-8-7(10)6(2)12-9(11)13-8/h3-5H2,1-2H3,(H2,11,12,13)
InChIKeyZKPZRMVMVOWWTF-UHFFFAOYSA-N
MW307.14 g/mol
LogP2.15
Rot. Bonds4

About 4-butoxy-5-iodo-6-methylpyrimidin-2-amine

4-butoxy-5-iodo-6-methylpyrimidin-2-amine (PubChem CID 135260417) has the molecular formula C9H14IN3O and a molecular weight of 307.14 g/mol. Its IUPAC name is 4-butoxy-5-iodo-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-butoxy-5-iodo-6-methylpyrimidin-2-amine
PubChem CID135260417
Molecular FormulaC9H14IN3O
Molecular Weight307.14 g/mol
Exact Mass307.02
IUPAC Name4-butoxy-5-iodo-6-methylpyrimidin-2-amine
SMILESCCCCOc1nc(N)nc(C)c1I
InChIInChI=1S/C9H14IN3O/c1-3-4-5-14-8-7(10)6(2)12-9(11)13-8/h3-5H2,1-2H3,(H2,11,12,13)
InChIKeyZKPZRMVMVOWWTF-UHFFFAOYSA-N
XLogP2.15
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-(2-Methoxyethoxy)-6-methylpyrimidin-2-amine
CID 3777900
4-(2,2-Dimethylpropoxy)-6-methylpyrimidin-2-amine
CID 57063267
4-Methoxy-6-methylpyrimidin-2-amine
CID 587236
4-Methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine
CID 2246718
2,4-Diethoxy-6-methylpyrimidine
CID 260112
5-Ethyl-4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
CID 755539
5-Bromo-4-methyl-6-(2,2,3,3-tetrafluoro-propoxy)-pyrimidin-2-ylamine
CID 1379281
2-(2-Amino-6-methylpyrimidin-4-yl)oxyacetonitrile
CID 3158769
3-(2-Amino-6-Methyl-Pyrimidin-4-Yl)oxypropan-1-Ol
CID 80866888
2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine
CID 58252332
2,4-Dimethyl-6-ethoxypyrimidine
CID 12318269
4-Isopropoxy-6-methylpyrimidin-2-amine
CID 580558

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-5-iodo-6-methylpyrimidin-2-amine?
The IUPAC name of 4-butoxy-5-iodo-6-methylpyrimidin-2-amine (CID 135260417) is 4-butoxy-5-iodo-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-butoxy-5-iodo-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-butoxy-5-iodo-6-methylpyrimidin-2-amine is CCCCOc1nc(N)nc(C)c1I.
What is the InChIKey of 4-butoxy-5-iodo-6-methylpyrimidin-2-amine?
The InChIKey is ZKPZRMVMVOWWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3O/c1-3-4-5-14-8-7(10)6(2)12-9(11)13-8/h3-5H2,1-2H3,(H2,11,12,13).
What are the key properties of 4-butoxy-5-iodo-6-methylpyrimidin-2-amine?
4-butoxy-5-iodo-6-methylpyrimidin-2-amine has a molecular weight of 307.14 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-5-iodo-6-methylpyrimidin-2-amine is sourced from PubChem (CID 135260417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).