6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[1-[1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethylamino]ethenyl]-3-pyridinyl]pyrimidin-4-amine

C26H27N11 — CID 142557989

About 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[1-[1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethylamino]ethenyl]-3-pyridinyl]pyrimidin-4-amine

6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[1-[1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethylamino]ethenyl]-3-pyridinyl]pyrimidin-4-amine (PubChem CID 142557989) has the molecular formula C26H27N11 and a molecular weight of 493.58 g/mol. Its IUPAC name is 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[1-[1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethylamino]ethenyl]-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[1-[1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethylamino]ethenyl]-3-pyridinyl]pyrimidin-4-amine
• PubChem CID: 142557989
• Molecular Formula: C26H27N11
• Molecular Weight: 493.58 g/mol
• Exact Mass: 493.25
• IUPAC Name: 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[1-[1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethylamino]ethenyl]-3-pyridinyl]pyrimidin-4-amine
• SMILES: C=C(NC(C)c1cnc(-n2cc(C)cn2)cn1)c1ccc(-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cn1
• InChI: InChI=1S/C26H27N11/c1-15-10-30-37(14-15)25-13-28-22(12-29-25)19(5)32-18(4)21-7-6-20(11-27-21)26-31-16(2)8-23(34-26)33-24-9-17(3)35-36-24/h6-14,19,32H,4H2,1-3,5H3,(H2,31,33,34,35,36)
• InChIKey: FEQMZEYDRLERDS-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 135.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.58
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[1-[1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethylamino]ethenyl]-3-pyridinyl]pyrimidin-4-amine?

The IUPAC name of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[1-[1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethylamino]ethenyl]-3-pyridinyl]pyrimidin-4-amine (CID 142557989) is 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[1-[1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethylamino]ethenyl]-3-pyridinyl]pyrimidin-4-amine.

What is the SMILES notation for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[1-[1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethylamino]ethenyl]-3-pyridinyl]pyrimidin-4-amine?

The canonical SMILES for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[1-[1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethylamino]ethenyl]-3-pyridinyl]pyrimidin-4-amine is C=C(NC(C)c1cnc(-n2cc(C)cn2)cn1)c1ccc(-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cn1.

What is the InChIKey of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[1-[1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethylamino]ethenyl]-3-pyridinyl]pyrimidin-4-amine?

The InChIKey is FEQMZEYDRLERDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N11/c1-15-10-30-37(14-15)25-13-28-22(12-29-25)19(5)32-18(4)21-7-6-20(11-27-21)26-31-16(2)8-23(34-26)33-24-9-17(3)35-36-24/h6-14,19,32H,4H2,1-3,5H3,(H2,31,33,34,35,36).

What are the key properties of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[1-[1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethylamino]ethenyl]-3-pyridinyl]pyrimidin-4-amine?

6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[1-[1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethylamino]ethenyl]-3-pyridinyl]pyrimidin-4-amine has a molecular weight of 493.58 g/mol, XLogP of 4.23, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[1-[1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethylamino]ethenyl]-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 142557989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).