N-iodo-4-methyl-1,4-dihydropyrimidin-2-amine

C5H8IN3 — CID 134316533

IUPACN-iodo-4-methyl-1,4-dihydropyrimidin-2-amine
SMILESCC1C=CNC(NI)=N1
InChIInChI=1S/C5H8IN3/c1-4-2-3-7-5(8-4)9-6/h2-4H,1H3,(H2,7,8,9)
InChIKeyNBSWPXXGIFQLRY-UHFFFAOYSA-N
MW237.04 g/mol
LogP0.79
Rot. Bonds

About N-iodo-4-methyl-1,4-dihydropyrimidin-2-amine

N-iodo-4-methyl-1,4-dihydropyrimidin-2-amine (PubChem CID 134316533) has the molecular formula C5H8IN3 and a molecular weight of 237.04 g/mol. Its IUPAC name is N-iodo-4-methyl-1,4-dihydropyrimidin-2-amine.

Molecular Properties

Compound NameN-iodo-4-methyl-1,4-dihydropyrimidin-2-amine
PubChem CID134316533
Molecular FormulaC5H8IN3
Molecular Weight237.04 g/mol
Exact Mass236.98
IUPAC NameN-iodo-4-methyl-1,4-dihydropyrimidin-2-amine
SMILESCC1C=CNC(NI)=N1
InChIInChI=1S/C5H8IN3/c1-4-2-3-7-5(8-4)9-6/h2-4H,1H3,(H2,7,8,9)
InChIKeyNBSWPXXGIFQLRY-UHFFFAOYSA-N
XLogP0.79
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-iodo-4-methyl-1,4-dihydropyrimidin-2-amine?
The IUPAC name of N-iodo-4-methyl-1,4-dihydropyrimidin-2-amine (CID 134316533) is N-iodo-4-methyl-1,4-dihydropyrimidin-2-amine.
What is the SMILES notation for N-iodo-4-methyl-1,4-dihydropyrimidin-2-amine?
The canonical SMILES for N-iodo-4-methyl-1,4-dihydropyrimidin-2-amine is CC1C=CNC(NI)=N1.
What is the InChIKey of N-iodo-4-methyl-1,4-dihydropyrimidin-2-amine?
The InChIKey is NBSWPXXGIFQLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8IN3/c1-4-2-3-7-5(8-4)9-6/h2-4H,1H3,(H2,7,8,9).
What are the key properties of N-iodo-4-methyl-1,4-dihydropyrimidin-2-amine?
N-iodo-4-methyl-1,4-dihydropyrimidin-2-amine has a molecular weight of 237.04 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-4-methyl-1,4-dihydropyrimidin-2-amine is sourced from PubChem (CID 134316533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).