8-[2-(methylamino)pyrimidine-5-carbonyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H27N5O3 — CID 70713692

About 8-[2-(methylamino)pyrimidine-5-carbonyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-[2-(methylamino)pyrimidine-5-carbonyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 70713692) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 8-[2-(methylamino)pyrimidine-5-carbonyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: 8-[2-(methylamino)pyrimidine-5-carbonyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 70713692
• Molecular Formula: C18H27N5O3
• Molecular Weight: 361.45 g/mol
• Exact Mass: 361.21
• IUPAC Name: 8-[2-(methylamino)pyrimidine-5-carbonyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: CCCN1CC2(CCN(C(=O)c3cnc(NC)nc3)CC2)CC1C(=O)O
• InChI: InChI=1S/C18H27N5O3/c1-3-6-23-12-18(9-14(23)16(25)26)4-7-22(8-5-18)15(24)13-10-20-17(19-2)21-11-13/h10-11,14H,3-9,12H2,1-2H3,(H,25,26)(H,19,20,21)
• InChIKey: WJZHRSFGLMKPDI-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 98.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.45
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[2-(methylamino)pyrimidine-5-carbonyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The IUPAC name of 8-[2-(methylamino)pyrimidine-5-carbonyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 70713692) is 8-[2-(methylamino)pyrimidine-5-carbonyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

What is the SMILES notation for 8-[2-(methylamino)pyrimidine-5-carbonyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The canonical SMILES for 8-[2-(methylamino)pyrimidine-5-carbonyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCN1CC2(CCN(C(=O)c3cnc(NC)nc3)CC2)CC1C(=O)O.

What is the InChIKey of 8-[2-(methylamino)pyrimidine-5-carbonyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The InChIKey is WJZHRSFGLMKPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-3-6-23-12-18(9-14(23)16(25)26)4-7-22(8-5-18)15(24)13-10-20-17(19-2)21-11-13/h10-11,14H,3-9,12H2,1-2H3,(H,25,26)(H,19,20,21).

What are the key properties of 8-[2-(methylamino)pyrimidine-5-carbonyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

8-[2-(methylamino)pyrimidine-5-carbonyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 361.45 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(methylamino)pyrimidine-5-carbonyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 70713692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).