N,N,4,5-tetramethyl-6-[(3R)-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide

C19H29N7O — CID 146112323

About N,N,4,5-tetramethyl-6-[(3R)-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide

N,N,4,5-tetramethyl-6-[(3R)-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide (PubChem CID 146112323) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is N,N,4,5-tetramethyl-6-[(3R)-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N,N,4,5-tetramethyl-6-[(3R)-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
• PubChem CID: 146112323
• Molecular Formula: C19H29N7O
• Molecular Weight: 371.49 g/mol
• Exact Mass: 371.24
• IUPAC Name: N,N,4,5-tetramethyl-6-[(3R)-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
• SMILES: Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NC(C)Cn3cccn3)C2)c1C
• InChI: InChI=1S/C19H29N7O/c1-13(11-26-9-6-8-20-26)21-16-7-10-25(12-16)18-14(2)15(3)22-17(23-18)19(27)24(4)5/h6,8-9,13,16,21H,7,10-12H2,1-5H3/t13?,16-/m1/s1
• InChIKey: YZSFEXMZUBHQDA-FQNRMIAFSA-N
• XLogP: 1.25
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.49
LogP ≤ 5	1.25
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-pyrazol-1-ylpropan-2-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide?

The IUPAC name of N,N,4,5-tetramethyl-6-[(3R)-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide (CID 146112323) is N,N,4,5-tetramethyl-6-[(3R)-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide.

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

The canonical SMILES for N,N,4,5-tetramethyl-6-[(3R)-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide is Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NC(C)Cn3cccn3)C2)c1C.

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

The InChIKey is YZSFEXMZUBHQDA-FQNRMIAFSA-N. The full InChI is InChI=1S/C19H29N7O/c1-13(11-26-9-6-8-20-26)21-16-7-10-25(12-16)18-14(2)15(3)22-17(23-18)19(27)24(4)5/h6,8-9,13,16,21H,7,10-12H2,1-5H3/t13?,16-/m1/s1.

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

N,N,4,5-tetramethyl-6-[(3R)-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.25, 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-pyrazol-1-ylpropan-2-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 146112323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).