2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine

C9H10IN5 — CID 80653962

IUPAC2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(Cn2cc(I)cn2)n1
InChIInChI=1S/C9H10IN5/c1-6-2-8(11)14-9(13-6)5-15-4-7(10)3-12-15/h2-4H,5H2,1H3,(H2,11,13,14)
InChIKeyJTMMHIOLXZJKFS-UHFFFAOYSA-N
MW315.12 g/mol
LogP1.22
Rot. Bonds2

About 2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine

2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine (PubChem CID 80653962) has the molecular formula C9H10IN5 and a molecular weight of 315.12 g/mol. Its IUPAC name is 2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine
PubChem CID80653962
Molecular FormulaC9H10IN5
Molecular Weight315.12 g/mol
Exact Mass315.00
IUPAC Name2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(Cn2cc(I)cn2)n1
InChIInChI=1S/C9H10IN5/c1-6-2-8(11)14-9(13-6)5-15-4-7(10)3-12-15/h2-4H,5H2,1H3,(H2,11,13,14)
InChIKeyJTMMHIOLXZJKFS-UHFFFAOYSA-N
XLogP1.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine (CID 80653962) is 2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(Cn2cc(I)cn2)n1.
What is the InChIKey of 2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine?
The InChIKey is JTMMHIOLXZJKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN5/c1-6-2-8(11)14-9(13-6)5-15-4-7(10)3-12-15/h2-4H,5H2,1H3,(H2,11,13,14).
What are the key properties of 2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine?
2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine has a molecular weight of 315.12 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80653962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).