5-iodo-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-amine

C14H12IN5 — CID 66294304

IUPAC5-iodo-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-amine
SMILESCn1cc(-c2nc(N)c(I)c(-c3ccccc3)n2)cn1
InChIInChI=1S/C14H12IN5/c1-20-8-10(7-17-20)14-18-12(11(15)13(16)19-14)9-5-3-2-4-6-9/h2-8H,1H3,(H2,16,18,19)
InChIKeyBZCREORRXGPNPK-UHFFFAOYSA-N
MW377.19 g/mol
LogP2.73
Rot. Bonds2

About 5-iodo-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-amine

5-iodo-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-amine (PubChem CID 66294304) has the molecular formula C14H12IN5 and a molecular weight of 377.19 g/mol. Its IUPAC name is 5-iodo-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-amine
PubChem CID66294304
Molecular FormulaC14H12IN5
Molecular Weight377.19 g/mol
Exact Mass377.01
IUPAC Name5-iodo-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-amine
SMILESCn1cc(-c2nc(N)c(I)c(-c3ccccc3)n2)cn1
InChIInChI=1S/C14H12IN5/c1-20-8-10(7-17-20)14-18-12(11(15)13(16)19-14)9-5-3-2-4-6-9/h2-8H,1H3,(H2,16,18,19)
InChIKeyBZCREORRXGPNPK-UHFFFAOYSA-N
XLogP2.73
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 52.73
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 5-iodo-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-amine (CID 66294304) is 5-iodo-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-amine is Cn1cc(-c2nc(N)c(I)c(-c3ccccc3)n2)cn1.
What is the InChIKey of 5-iodo-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-amine?
The InChIKey is BZCREORRXGPNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12IN5/c1-20-8-10(7-17-20)14-18-12(11(15)13(16)19-14)9-5-3-2-4-6-9/h2-8H,1H3,(H2,16,18,19).
What are the key properties of 5-iodo-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-amine?
5-iodo-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-amine has a molecular weight of 377.19 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 66294304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).