[1-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methylurea

C20H24N6OS — CID 166183799

IUPAC[1-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methylurea
SMILESCc1sc2nc(-c3cccnc3)nc(N3CCCC(CNC(N)=O)C3)c2c1C
InChIInChI=1S/C20H24N6OS/c1-12-13(2)28-19-16(12)18(24-17(25-19)15-6-3-7-22-10-15)26-8-4-5-14(11-26)9-23-20(21)27/h3,6-7,10,14H,4-5,8-9,11H2,1-2H3,(H3,21,23,27)
InChIKeyBOXMYYTXHVJIPK-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.25
Rot. Bonds4

About [1-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methylurea

[1-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methylurea (PubChem CID 166183799) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is [1-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methylurea.

Molecular Properties

Compound Name[1-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methylurea
PubChem CID166183799
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name[1-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methylurea
SMILESCc1sc2nc(-c3cccnc3)nc(N3CCCC(CNC(N)=O)C3)c2c1C
InChIInChI=1S/C20H24N6OS/c1-12-13(2)28-19-16(12)18(24-17(25-19)15-6-3-7-22-10-15)26-8-4-5-14(11-26)9-23-20(21)27/h3,6-7,10,14H,4-5,8-9,11H2,1-2H3,(H3,21,23,27)
InChIKeyBOXMYYTXHVJIPK-UHFFFAOYSA-N
XLogP3.25
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methylurea with MolForge

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Related Compounds

2-[1-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-3-yl]acetamide
CID 133356003
5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide
CID 166328844
6-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
CID 167964971
4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide
CID 154807100
4-[[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 167904296
N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 4795424
ethyl N-[1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 133317426
ethyl 4-(7-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 46797966
2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid
CID 166237581
6-methyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 71690948
5,6-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 7927705
ethyl 1-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 91965516

Frequently Asked Questions

What is the IUPAC name of [1-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methylurea?
The IUPAC name of [1-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methylurea (CID 166183799) is [1-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methylurea.
What is the SMILES notation for [1-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methylurea?
The canonical SMILES for [1-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methylurea is Cc1sc2nc(-c3cccnc3)nc(N3CCCC(CNC(N)=O)C3)c2c1C.
What is the InChIKey of [1-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methylurea?
The InChIKey is BOXMYYTXHVJIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-12-13(2)28-19-16(12)18(24-17(25-19)15-6-3-7-22-10-15)26-8-4-5-14(11-26)9-23-20(21)27/h3,6-7,10,14H,4-5,8-9,11H2,1-2H3,(H3,21,23,27).
What are the key properties of [1-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methylurea?
[1-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methylurea has a molecular weight of 396.52 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methylurea is sourced from PubChem (CID 166183799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).