4-(5-ethyl-3-methylidene-2H-pyrrol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine

C21H27N7 — CID 158478329

About 4-(5-ethyl-3-methylidene-2H-pyrrol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine

4-(5-ethyl-3-methylidene-2H-pyrrol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 158478329) has the molecular formula C21H27N7 and a molecular weight of 377.50 g/mol. Its IUPAC name is 4-(5-ethyl-3-methylidene-2H-pyrrol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-(5-ethyl-3-methylidene-2H-pyrrol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
• PubChem CID: 158478329
• Molecular Formula: C21H27N7
• Molecular Weight: 377.50 g/mol
• Exact Mass: 377.23
• IUPAC Name: 4-(5-ethyl-3-methylidene-2H-pyrrol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
• SMILES: C=C1C=C(CC)N(c2ccnc(Nc3ccc(N4CCN(C)CC4)cn3)n2)C1
• InChI: InChI=1S/C21H27N7/c1-4-17-13-16(2)15-28(17)20-7-8-22-21(25-20)24-19-6-5-18(14-23-19)27-11-9-26(3)10-12-27/h5-8,13-14H,2,4,9-12,15H2,1,3H3,(H,22,23,24,25)
• InChIKey: ALHJKROUSABKPB-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 60.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.50
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-3-methylidene-2H-pyrrol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?

The IUPAC name of 4-(5-ethyl-3-methylidene-2H-pyrrol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine (CID 158478329) is 4-(5-ethyl-3-methylidene-2H-pyrrol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine.

What is the SMILES notation for 4-(5-ethyl-3-methylidene-2H-pyrrol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?

The canonical SMILES for 4-(5-ethyl-3-methylidene-2H-pyrrol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine is C=C1C=C(CC)N(c2ccnc(Nc3ccc(N4CCN(C)CC4)cn3)n2)C1.

What is the InChIKey of 4-(5-ethyl-3-methylidene-2H-pyrrol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?

The InChIKey is ALHJKROUSABKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7/c1-4-17-13-16(2)15-28(17)20-7-8-22-21(25-20)24-19-6-5-18(14-23-19)27-11-9-26(3)10-12-27/h5-8,13-14H,2,4,9-12,15H2,1,3H3,(H,22,23,24,25).

What are the key properties of 4-(5-ethyl-3-methylidene-2H-pyrrol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?

4-(5-ethyl-3-methylidene-2H-pyrrol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 377.50 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-ethyl-3-methylidene-2H-pyrrol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 158478329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).