6-methyl-2-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

C19H25N3OS — CID 100640353

IUPAC6-methyl-2-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN3CCSC4(CCCCC4)C3)cc(=O)n12
InChIInChI=1S/C19H25N3OS/c1-15-6-5-7-17-20-16(12-18(23)22(15)17)13-21-10-11-24-19(14-21)8-3-2-4-9-19/h5-7,12H,2-4,8-11,13-14H2,1H3
InChIKeySQUYPSUOYUWIPK-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.25
Rot. Bonds2

About 6-methyl-2-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

6-methyl-2-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 100640353) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 6-methyl-2-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID100640353
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name6-methyl-2-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN3CCSC4(CCCCC4)C3)cc(=O)n12
InChIInChI=1S/C19H25N3OS/c1-15-6-5-7-17-20-16(12-18(23)22(15)17)13-21-10-11-24-19(14-21)8-3-2-4-9-19/h5-7,12H,2-4,8-11,13-14H2,1H3
InChIKeySQUYPSUOYUWIPK-UHFFFAOYSA-N
XLogP3.25
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 100640353) is 6-methyl-2-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(CN3CCSC4(CCCCC4)C3)cc(=O)n12.
What is the InChIKey of 6-methyl-2-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SQUYPSUOYUWIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-15-6-5-7-17-20-16(12-18(23)22(15)17)13-21-10-11-24-19(14-21)8-3-2-4-9-19/h5-7,12H,2-4,8-11,13-14H2,1H3.
What are the key properties of 6-methyl-2-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
6-methyl-2-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 343.50 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 100640353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).