6-methyl-2-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

C14H16N6OS — CID 51245265

IUPAC6-methyl-2-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CSc3nnnn3C(C)C)cc(=O)n12
InChIInChI=1S/C14H16N6OS/c1-9(2)20-14(16-17-18-20)22-8-11-7-13(21)19-10(3)5-4-6-12(19)15-11/h4-7,9H,8H2,1-3H3
InChIKeyBHTFWWQMBJNNEV-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.86
Rot. Bonds4

About 6-methyl-2-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

6-methyl-2-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 51245265) has the molecular formula C14H16N6OS and a molecular weight of 316.39 g/mol. Its IUPAC name is 6-methyl-2-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID51245265
Molecular FormulaC14H16N6OS
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC Name6-methyl-2-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CSc3nnnn3C(C)C)cc(=O)n12
InChIInChI=1S/C14H16N6OS/c1-9(2)20-14(16-17-18-20)22-8-11-7-13(21)19-10(3)5-4-6-12(19)15-11/h4-7,9H,8H2,1-3H3
InChIKeyBHTFWWQMBJNNEV-UHFFFAOYSA-N
XLogP1.86
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-methyl-2-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8916555
3-methyl-7-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51245326
2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 46805119
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8970188
2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 55477363
2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 46805986
6-methyl-2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 94644518
6-bromo-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one
CID 46806421
2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 46805740
6-methyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51289433
2-[[1-(4-bromophenyl)imidazol-2-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 55476712
2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 11470702

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (CID 51245265) is 6-methyl-2-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(CSc3nnnn3C(C)C)cc(=O)n12.
What is the InChIKey of 6-methyl-2-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BHTFWWQMBJNNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS/c1-9(2)20-14(16-17-18-20)22-8-11-7-13(21)19-10(3)5-4-6-12(19)15-11/h4-7,9H,8H2,1-3H3.
What are the key properties of 6-methyl-2-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
6-methyl-2-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 316.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 51245265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).