N-butyl-5-iodo-N-methylpyrimidin-2-amine

C9H14IN3 — CID 115620517

IUPACN-butyl-5-iodo-N-methylpyrimidin-2-amine
SMILESCCCCN(C)c1ncc(I)cn1
InChIInChI=1S/C9H14IN3/c1-3-4-5-13(2)9-11-6-8(10)7-12-9/h6-7H,3-5H2,1-2H3
InChIKeyFUVPUBHYYRQJQI-UHFFFAOYSA-N
MW291.14 g/mol
LogP2.32
Rot. Bonds4

About N-butyl-5-iodo-N-methylpyrimidin-2-amine

N-butyl-5-iodo-N-methylpyrimidin-2-amine (PubChem CID 115620517) has the molecular formula C9H14IN3 and a molecular weight of 291.14 g/mol. Its IUPAC name is N-butyl-5-iodo-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-5-iodo-N-methylpyrimidin-2-amine
PubChem CID115620517
Molecular FormulaC9H14IN3
Molecular Weight291.14 g/mol
Exact Mass291.02
IUPAC NameN-butyl-5-iodo-N-methylpyrimidin-2-amine
SMILESCCCCN(C)c1ncc(I)cn1
InChIInChI=1S/C9H14IN3/c1-3-4-5-13(2)9-11-6-8(10)7-12-9/h6-7H,3-5H2,1-2H3
InChIKeyFUVPUBHYYRQJQI-UHFFFAOYSA-N
XLogP2.32
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-iodo-N-methylpyrimidin-2-amine?
The IUPAC name of N-butyl-5-iodo-N-methylpyrimidin-2-amine (CID 115620517) is N-butyl-5-iodo-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-butyl-5-iodo-N-methylpyrimidin-2-amine?
The canonical SMILES for N-butyl-5-iodo-N-methylpyrimidin-2-amine is CCCCN(C)c1ncc(I)cn1.
What is the InChIKey of N-butyl-5-iodo-N-methylpyrimidin-2-amine?
The InChIKey is FUVPUBHYYRQJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3/c1-3-4-5-13(2)9-11-6-8(10)7-12-9/h6-7H,3-5H2,1-2H3.
What are the key properties of N-butyl-5-iodo-N-methylpyrimidin-2-amine?
N-butyl-5-iodo-N-methylpyrimidin-2-amine has a molecular weight of 291.14 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-iodo-N-methylpyrimidin-2-amine is sourced from PubChem (CID 115620517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).