2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide

C19H24N4O4 — CID 136662146

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide (PubChem CID 136662146) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
• PubChem CID: 136662146
• Molecular Formula: C19H24N4O4
• Molecular Weight: 372.43 g/mol
• Exact Mass: 372.18
• IUPAC Name: 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
• SMILES: COc1ccc(C(NC(=O)Cc2c(C)nc(C)[nH]c2=O)C2CC(O)C2)cn1
• InChI: InChI=1S/C19H24N4O4/c1-10-15(19(26)22-11(2)21-10)8-16(25)23-18(13-6-14(24)7-13)12-4-5-17(27-3)20-9-12/h4-5,9,13-14,18,24H,6-8H2,1-3H3,(H,23,25)(H,21,22,26)
• InChIKey: WMVQWHVKXMHMAQ-UHFFFAOYSA-N
• XLogP: 0.96
• TPSA: 117.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.43
LogP ≤ 5	0.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide?

The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide (CID 136662146) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide.

What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide?

The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide is COc1ccc(C(NC(=O)Cc2c(C)nc(C)[nH]c2=O)C2CC(O)C2)cn1.

What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide?

The InChIKey is WMVQWHVKXMHMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-10-15(19(26)22-11(2)21-10)8-16(25)23-18(13-6-14(24)7-13)12-4-5-17(27-3)20-9-12/h4-5,9,13-14,18,24H,6-8H2,1-3H3,(H,23,25)(H,21,22,26).

What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide?

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide has a molecular weight of 372.43 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 136662146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).