1-[2-(4-iodopyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine

C10H12IN5 — CID 83189340

IUPAC1-[2-(4-iodopyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(-n2cc(I)cn2)nc1C
InChIInChI=1S/C10H12IN5/c1-7-8(3-12-2)4-13-10(15-7)16-6-9(11)5-14-16/h4-6,12H,3H2,1-2H3
InChIKeyNDNSCSQMAOQHLS-UHFFFAOYSA-N
MW329.15 g/mol
LogP1.29
Rot. Bonds3

About 1-[2-(4-iodopyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine

1-[2-(4-iodopyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine (PubChem CID 83189340) has the molecular formula C10H12IN5 and a molecular weight of 329.15 g/mol. Its IUPAC name is 1-[2-(4-iodopyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-iodopyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
PubChem CID83189340
Molecular FormulaC10H12IN5
Molecular Weight329.15 g/mol
Exact Mass329.01
IUPAC Name1-[2-(4-iodopyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(-n2cc(I)cn2)nc1C
InChIInChI=1S/C10H12IN5/c1-7-8(3-12-2)4-13-10(15-7)16-6-9(11)5-14-16/h4-6,12H,3H2,1-2H3
InChIKeyNDNSCSQMAOQHLS-UHFFFAOYSA-N
XLogP1.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 51.29
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 1-[2-(4-iodopyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-iodopyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine (CID 83189340) is 1-[2-(4-iodopyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-iodopyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-iodopyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(-n2cc(I)cn2)nc1C.
What is the InChIKey of 1-[2-(4-iodopyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is NDNSCSQMAOQHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN5/c1-7-8(3-12-2)4-13-10(15-7)16-6-9(11)5-14-16/h4-6,12H,3H2,1-2H3.
What are the key properties of 1-[2-(4-iodopyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
1-[2-(4-iodopyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 329.15 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-iodopyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 83189340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).