4,6-dimethyl-N-[3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine

C19H24N8 — CID 110111786

About 4,6-dimethyl-N-[3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine

4,6-dimethyl-N-[3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine (PubChem CID 110111786) has the molecular formula C19H24N8 and a molecular weight of 364.46 g/mol. Its IUPAC name is 4,6-dimethyl-N-[3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4,6-dimethyl-N-[3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine
• PubChem CID: 110111786
• Molecular Formula: C19H24N8
• Molecular Weight: 364.46 g/mol
• Exact Mass: 364.21
• IUPAC Name: 4,6-dimethyl-N-[3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine
• SMILES: Cc1cc(C)nc(Nc2nccnc2C2CCCN2Cc2ccnn2C)n1
• InChI: InChI=1S/C19H24N8/c1-13-11-14(2)24-19(23-13)25-18-17(20-8-9-21-18)16-5-4-10-27(16)12-15-6-7-22-26(15)3/h6-9,11,16H,4-5,10,12H2,1-3H3,(H,21,23,24,25)
• InChIKey: CLQJWJXNRKSFKP-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 84.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.46
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine?

The IUPAC name of 4,6-dimethyl-N-[3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine (CID 110111786) is 4,6-dimethyl-N-[3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine.

What is the SMILES notation for 4,6-dimethyl-N-[3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine?

The canonical SMILES for 4,6-dimethyl-N-[3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine is Cc1cc(C)nc(Nc2nccnc2C2CCCN2Cc2ccnn2C)n1.

What is the InChIKey of 4,6-dimethyl-N-[3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine?

The InChIKey is CLQJWJXNRKSFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8/c1-13-11-14(2)24-19(23-13)25-18-17(20-8-9-21-18)16-5-4-10-27(16)12-15-6-7-22-26(15)3/h6-9,11,16H,4-5,10,12H2,1-3H3,(H,21,23,24,25).

What are the key properties of 4,6-dimethyl-N-[3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine?

4,6-dimethyl-N-[3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine has a molecular weight of 364.46 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-dimethyl-N-[3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 110111786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).