6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one

C18H18N4O3S — CID 170506722

IUPAC6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCc3oc(C4CCC4)nc3C2)sc2nc[nH]c(=O)c12
InChIInChI=1S/C18H18N4O3S/c1-9-13-15(23)19-8-20-17(13)26-14(9)18(24)22-6-5-12-11(7-22)21-16(25-12)10-3-2-4-10/h8,10H,2-7H2,1H3,(H,19,20,23)
InChIKeyVMUUHSZUHYDNFK-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.75
Rot. Bonds2

About 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one

6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 170506722) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID170506722
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCc3oc(C4CCC4)nc3C2)sc2nc[nH]c(=O)c12
InChIInChI=1S/C18H18N4O3S/c1-9-13-15(23)19-8-20-17(13)26-14(9)18(24)22-6-5-12-11(7-22)21-16(25-12)10-3-2-4-10/h8,10H,2-7H2,1H3,(H,19,20,23)
InChIKeyVMUUHSZUHYDNFK-UHFFFAOYSA-N
XLogP2.75
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

6-[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 125019563
6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
CID 169422207
6-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 46360561
3,5-dimethyl-6-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 136930439
5-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 170505077
5-methyl-6-(4-phenylpiperazine-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 4991094
6-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 74238277
5-methyl-6-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126437388
4-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-quinolin-2-one
CID 170506971
5-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 119068298
[2-(aminomethyl)-1,3-oxazol-4-yl]-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170512082
3-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 170505389

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 170506722) is 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1c(C(=O)N2CCc3oc(C4CCC4)nc3C2)sc2nc[nH]c(=O)c12.
What is the InChIKey of 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is VMUUHSZUHYDNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-9-13-15(23)19-8-20-17(13)26-14(9)18(24)22-6-5-12-11(7-22)21-16(25-12)10-3-2-4-10/h8,10H,2-7H2,1H3,(H,19,20,23).
What are the key properties of 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 370.43 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 170506722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).