5-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one

C19H20N4O3S — CID 119068298

IUPAC5-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCCC(OCc3ccccn3)C2)sc2nc[nH]c(=O)c12
InChIInChI=1S/C19H20N4O3S/c1-12-15-17(24)21-11-22-18(15)27-16(12)19(25)23-8-4-6-14(9-23)26-10-13-5-2-3-7-20-13/h2-3,5,7,11,14H,4,6,8-10H2,1H3,(H,21,22,24)
InChIKeyZBKPAFQWDRZWHI-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.51
Rot. Bonds4

About 5-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one

5-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 119068298) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID119068298
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name5-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCCC(OCc3ccccn3)C2)sc2nc[nH]c(=O)c12
InChIInChI=1S/C19H20N4O3S/c1-12-15-17(24)21-11-22-18(15)27-16(12)19(25)23-8-4-6-14(9-23)26-10-13-5-2-3-7-20-13/h2-3,5,7,11,14H,4,6,8-10H2,1H3,(H,21,22,24)
InChIKeyZBKPAFQWDRZWHI-UHFFFAOYSA-N
XLogP2.51
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 97155827
1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone
CID 91766002
[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
CID 91781327
2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one
CID 99929823
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 70730800
(6-methylimidazo[1,2-a]pyridin-2-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 97142061
(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96576382
6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one
CID 99950657
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
(5-cyclohexyl-1H-pyrazol-4-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 97137325
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 91778297
6-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 74238277

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 119068298) is 5-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one is Cc1c(C(=O)N2CCCC(OCc3ccccn3)C2)sc2nc[nH]c(=O)c12.
What is the InChIKey of 5-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is ZBKPAFQWDRZWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-12-15-17(24)21-11-22-18(15)27-16(12)19(25)23-8-4-6-14(9-23)26-10-13-5-2-3-7-20-13/h2-3,5,7,11,14H,4,6,8-10H2,1H3,(H,21,22,24).
What are the key properties of 5-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 384.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 119068298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).