(6S)-10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one

C18H27N5O — CID 97127057

About (6S)-10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97127057) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is (6S)-10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

• Compound Name: (6S)-10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one
• PubChem CID: 97127057
• Molecular Formula: C18H27N5O
• Molecular Weight: 329.45 g/mol
• Exact Mass: 329.22
• IUPAC Name: (6S)-10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one
• SMILES: CN1CCN(c2ncccn2)C[C@@]12CCC(=O)N(CC1CC1)CC2
• InChI: InChI=1S/C18H27N5O/c1-21-11-12-23(17-19-8-2-9-20-17)14-18(21)6-5-16(24)22(10-7-18)13-15-3-4-15/h2,8-9,15H,3-7,10-14H2,1H3/t18-/m0/s1
• InChIKey: WIENZKRCJTVCEG-SFHVURJKSA-N
• XLogP: 1.39
• TPSA: 52.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.45
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6S)-10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one?

The IUPAC name of (6S)-10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97127057) is (6S)-10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one.

What is the SMILES notation for (6S)-10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one?

The canonical SMILES for (6S)-10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(c2ncccn2)C[C@@]12CCC(=O)N(CC1CC1)CC2.

What is the InChIKey of (6S)-10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one?

The InChIKey is WIENZKRCJTVCEG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27N5O/c1-21-11-12-23(17-19-8-2-9-20-17)14-18(21)6-5-16(24)22(10-7-18)13-15-3-4-15/h2,8-9,15H,3-7,10-14H2,1H3/t18-/m0/s1.

What are the key properties of (6S)-10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one?

(6S)-10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 329.45 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97127057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).