N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C21H31N5O4 — CID 166619883

About N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 166619883) has the molecular formula C21H31N5O4 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
• PubChem CID: 166619883
• Molecular Formula: C21H31N5O4
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.24
• IUPAC Name: N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
• SMILES: Cc1ncc(C(=O)NC[C@@H]2CC[C@H](CC(=O)N3CCOCC3)N2CC2CC2)c(=O)[nH]1
• InChI: InChI=1S/C21H31N5O4/c1-14-22-12-18(21(29)24-14)20(28)23-11-17-5-4-16(26(17)13-15-2-3-15)10-19(27)25-6-8-30-9-7-25/h12,15-17H,2-11,13H2,1H3,(H,23,28)(H,22,24,29)/t16-,17+/m1/s1
• InChIKey: KADPZYLTBYNWBW-SJORKVTESA-N
• XLogP: 0.30
• TPSA: 107.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	0.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?

The IUPAC name of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 166619883) is N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?

The canonical SMILES for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NC[C@@H]2CC[C@H](CC(=O)N3CCOCC3)N2CC2CC2)c(=O)[nH]1.

What is the InChIKey of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?

The InChIKey is KADPZYLTBYNWBW-SJORKVTESA-N. The full InChI is InChI=1S/C21H31N5O4/c1-14-22-12-18(21(29)24-14)20(28)23-11-17-5-4-16(26(17)13-15-2-3-15)10-19(27)25-6-8-30-9-7-25/h12,15-17H,2-11,13H2,1H3,(H,23,28)(H,22,24,29)/t16-,17+/m1/s1.

What are the key properties of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?

N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 166619883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).