N,N,4,5-tetramethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide

C₂₀H₃₁N₇O — CID 146112026

About N,N,4,5-tetramethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide

N,N,4,5-tetramethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide (PubChem CID 146112026) has the molecular formula C₂₀H₃₁N₇O and a molecular weight of 385.52 g/mol. Its IUPAC name is N,N,4,5-tetramethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N,N,4,5-tetramethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
• PubChem CID: 146112026
• Molecular Formula: C₂₀H₃₁N₇O
• Molecular Weight: 385.52 g/mol
• Exact Mass: 385.26
• IUPAC Name: N,N,4,5-tetramethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
• SMILES: Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3ccn(C(C)C)n3)C2)c1C
• InChI: InChI=1S/C20H31N7O/c1-13(2)27-10-8-16(24-27)11-21-17-7-9-26(12-17)19-14(3)15(4)22-18(23-19)20(28)25(5)6/h8,10,13,17,21H,7,9,11-12H2,1-6H3/t17-/m1/s1
• InChIKey: YVSGIDLFVUXLDC-QGZVFWFLSA-N
• XLogP: 1.94
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.52
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,N,4,5-tetramethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?

The IUPAC name of N,N,4,5-tetramethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide (CID 146112026) is N,N,4,5-tetramethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide.

What is the SMILES notation for N,N,4,5-tetramethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?

The canonical SMILES for N,N,4,5-tetramethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide is Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3ccn(C(C)C)n3)C2)c1C.

What is the InChIKey of N,N,4,5-tetramethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?

The InChIKey is YVSGIDLFVUXLDC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31N7O/c1-13(2)27-10-8-16(24-27)11-21-17-7-9-26(12-17)19-14(3)15(4)22-18(23-19)20(28)25(5)6/h8,10,13,17,21H,7,9,11-12H2,1-6H3/t17-/m1/s1.

What are the key properties of N,N,4,5-tetramethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?

N,N,4,5-tetramethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide has a molecular weight of 385.52 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,4,5-tetramethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 146112026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146112026 — identifiers, structure, computed properties (public domain)

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