4-[(3R)-4-(5-tert-butyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one

C17H23N5O3 — CID 137149615

About 4-[(3R)-4-(5-tert-butyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one

4-[(3R)-4-(5-tert-butyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137149615) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[(3R)-4-(5-tert-butyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-[(3R)-4-(5-tert-butyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
• PubChem CID: 137149615
• Molecular Formula: C17H23N5O3
• Molecular Weight: 345.40 g/mol
• Exact Mass: 345.18
• IUPAC Name: 4-[(3R)-4-(5-tert-butyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
• SMILES: Cc1nc([C@@H]2COCCN2C(=O)c2cc(C(C)(C)C)[nH]n2)cc(=O)[nH]1
• InChI: InChI=1S/C17H23N5O3/c1-10-18-11(8-15(23)19-10)13-9-25-6-5-22(13)16(24)12-7-14(21-20-12)17(2,3)4/h7-8,13H,5-6,9H2,1-4H3,(H,20,21)(H,18,19,23)/t13-/m0/s1
• InChIKey: VKMKZZHJUYPHEI-ZDUSSCGKSA-N
• XLogP: 1.31
• TPSA: 103.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.40
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-4-(5-tert-butyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?

The IUPAC name of 4-[(3R)-4-(5-tert-butyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one (CID 137149615) is 4-[(3R)-4-(5-tert-butyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one.

What is the SMILES notation for 4-[(3R)-4-(5-tert-butyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?

The canonical SMILES for 4-[(3R)-4-(5-tert-butyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc([C@@H]2COCCN2C(=O)c2cc(C(C)(C)C)[nH]n2)cc(=O)[nH]1.

What is the InChIKey of 4-[(3R)-4-(5-tert-butyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?

The InChIKey is VKMKZZHJUYPHEI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-10-18-11(8-15(23)19-10)13-9-25-6-5-22(13)16(24)12-7-14(21-20-12)17(2,3)4/h7-8,13H,5-6,9H2,1-4H3,(H,20,21)(H,18,19,23)/t13-/m0/s1.

What are the key properties of 4-[(3R)-4-(5-tert-butyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?

4-[(3R)-4-(5-tert-butyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 345.40 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3R)-4-(5-tert-butyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137149615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).