6-methyl-N-(1H-pyrazol-5-yl)-2-pyrrol-1-ylpyrimidin-4-amine

C12H12N6 — CID 173112036

IUPAC6-methyl-N-(1H-pyrazol-5-yl)-2-pyrrol-1-ylpyrimidin-4-amine
SMILESCc1cc(Nc2ccn[nH]2)nc(-n2cccc2)n1
InChIInChI=1S/C12H12N6/c1-9-8-11(15-10-4-5-13-17-10)16-12(14-9)18-6-2-3-7-18/h2-8H,1H3,(H2,13,14,15,16,17)
InChIKeySLRMVMBWQBDFPW-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.04
Rot. Bonds3

About 6-methyl-N-(1H-pyrazol-5-yl)-2-pyrrol-1-ylpyrimidin-4-amine

6-methyl-N-(1H-pyrazol-5-yl)-2-pyrrol-1-ylpyrimidin-4-amine (PubChem CID 173112036) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-methyl-N-(1H-pyrazol-5-yl)-2-pyrrol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(1H-pyrazol-5-yl)-2-pyrrol-1-ylpyrimidin-4-amine
PubChem CID173112036
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name6-methyl-N-(1H-pyrazol-5-yl)-2-pyrrol-1-ylpyrimidin-4-amine
SMILESCc1cc(Nc2ccn[nH]2)nc(-n2cccc2)n1
InChIInChI=1S/C12H12N6/c1-9-8-11(15-10-4-5-13-17-10)16-12(14-9)18-6-2-3-7-18/h2-8H,1H3,(H2,13,14,15,16,17)
InChIKeySLRMVMBWQBDFPW-UHFFFAOYSA-N
XLogP2.04
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1H-pyrazol-5-yl)-2-pyrrol-1-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(1H-pyrazol-5-yl)-2-pyrrol-1-ylpyrimidin-4-amine (CID 173112036) is 6-methyl-N-(1H-pyrazol-5-yl)-2-pyrrol-1-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(1H-pyrazol-5-yl)-2-pyrrol-1-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(1H-pyrazol-5-yl)-2-pyrrol-1-ylpyrimidin-4-amine is Cc1cc(Nc2ccn[nH]2)nc(-n2cccc2)n1.
What is the InChIKey of 6-methyl-N-(1H-pyrazol-5-yl)-2-pyrrol-1-ylpyrimidin-4-amine?
The InChIKey is SLRMVMBWQBDFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-9-8-11(15-10-4-5-13-17-10)16-12(14-9)18-6-2-3-7-18/h2-8H,1H3,(H2,13,14,15,16,17).
What are the key properties of 6-methyl-N-(1H-pyrazol-5-yl)-2-pyrrol-1-ylpyrimidin-4-amine?
6-methyl-N-(1H-pyrazol-5-yl)-2-pyrrol-1-ylpyrimidin-4-amine has a molecular weight of 240.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1H-pyrazol-5-yl)-2-pyrrol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 173112036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).