2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide

C₂₁H₂₉N₅O₂ — CID 109264608

About 2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide

2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide (PubChem CID 109264608) has the molecular formula C₂₁H₂₉N₅O₂ and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide
• PubChem CID: 109264608
• Molecular Formula: C₂₁H₂₉N₅O₂
• Molecular Weight: 383.50 g/mol
• Exact Mass: 383.23
• IUPAC Name: 2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide
• SMILES: CCCN(CCC)C(=O)c1cnc(Nc2ccccc2N2CCOCC2)nc1
• InChI: InChI=1S/C21H29N5O2/c1-3-9-26(10-4-2)20(27)17-15-22-21(23-16-17)24-18-7-5-6-8-19(18)25-11-13-28-14-12-25/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,22,23,24)
• InChIKey: NDGGWSHMOQFOCC-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.50
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide?

The IUPAC name of 2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide (CID 109264608) is 2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide.

What is the SMILES notation for 2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide?

The canonical SMILES for 2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide is CCCN(CCC)C(=O)c1cnc(Nc2ccccc2N2CCOCC2)nc1.

What is the InChIKey of 2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide?

The InChIKey is NDGGWSHMOQFOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-3-9-26(10-4-2)20(27)17-15-22-21(23-16-17)24-18-7-5-6-8-19(18)25-11-13-28-14-12-25/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,22,23,24).

What are the key properties of 2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide?

2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide is sourced from PubChem (CID 109264608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 109264608 — identifiers, structure, computed properties (public domain)

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