1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]-1,3-diazinan-2-one

C18H19N5OS — CID 133325076

IUPAC1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]-1,3-diazinan-2-one
SMILESCCc1cc2c(Nc3cccc(N4CCCNC4=O)c3)ncnc2s1
InChIInChI=1S/C18H19N5OS/c1-2-14-10-15-16(20-11-21-17(15)25-14)22-12-5-3-6-13(9-12)23-8-4-7-19-18(23)24/h3,5-6,9-11H,2,4,7-8H2,1H3,(H,19,24)(H,20,21,22)
InChIKeyJMGQQFOTNLNMJN-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.92
Rot. Bonds4

About 1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]-1,3-diazinan-2-one

1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]-1,3-diazinan-2-one (PubChem CID 133325076) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]-1,3-diazinan-2-one
PubChem CID133325076
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]-1,3-diazinan-2-one
SMILESCCc1cc2c(Nc3cccc(N4CCCNC4=O)c3)ncnc2s1
InChIInChI=1S/C18H19N5OS/c1-2-14-10-15-16(20-11-21-17(15)25-14)22-12-5-3-6-13(9-12)23-8-4-7-19-18(23)24/h3,5-6,9-11H,2,4,7-8H2,1H3,(H,19,24)(H,20,21,22)
InChIKeyJMGQQFOTNLNMJN-UHFFFAOYSA-N
XLogP3.92
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone
CID 21011274
6-ethyl-N-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 47054747
6-ethyl-N-(8-ethyl-9H-carbazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 21010584
1-[3-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]-1,3-diazinan-2-one
CID 133325045
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one
CID 47476509
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 79026340
ethyl 4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 1412737
6-ethyl-N-(1-phenylpyrrolidin-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133292367
1-[3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]phenyl]-1,3-diazinan-2-one
CID 133325017
6-ethyl-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21012213
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 650309
1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide
CID 119809530

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]-1,3-diazinan-2-one (CID 133325076) is 1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]-1,3-diazinan-2-one is CCc1cc2c(Nc3cccc(N4CCCNC4=O)c3)ncnc2s1.
What is the InChIKey of 1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]-1,3-diazinan-2-one?
The InChIKey is JMGQQFOTNLNMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-2-14-10-15-16(20-11-21-17(15)25-14)22-12-5-3-6-13(9-12)23-8-4-7-19-18(23)24/h3,5-6,9-11H,2,4,7-8H2,1H3,(H,19,24)(H,20,21,22).
What are the key properties of 1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]-1,3-diazinan-2-one?
1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]-1,3-diazinan-2-one has a molecular weight of 353.45 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]-1,3-diazinan-2-one is sourced from PubChem (CID 133325076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).