5-methyl-3-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one

C18H22N4OS — CID 167950213

IUPAC5-methyl-3-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(CNc2nc(C)nc3scc(CC(C)C)c23)c1
InChIInChI=1S/C18H22N4OS/c1-10(2)5-14-9-24-18-15(14)16(21-12(4)22-18)19-8-13-6-11(3)7-20-17(13)23/h6-7,9-10H,5,8H2,1-4H3,(H,20,23)(H,19,21,22)
InChIKeyIIPSAVUGNNWIFF-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.81
Rot. Bonds5

About 5-methyl-3-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one

5-methyl-3-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one (PubChem CID 167950213) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 5-methyl-3-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-methyl-3-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one
PubChem CID167950213
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name5-methyl-3-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(CNc2nc(C)nc3scc(CC(C)C)c23)c1
InChIInChI=1S/C18H22N4OS/c1-10(2)5-14-9-24-18-15(14)16(21-12(4)22-18)19-8-13-6-11(3)7-20-17(13)23/h6-7,9-10H,5,8H2,1-4H3,(H,20,23)(H,19,21,22)
InChIKeyIIPSAVUGNNWIFF-UHFFFAOYSA-N
XLogP3.81
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-methyl-3-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one (CID 167950213) is 5-methyl-3-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-methyl-3-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-methyl-3-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one is Cc1c[nH]c(=O)c(CNc2nc(C)nc3scc(CC(C)C)c23)c1.
What is the InChIKey of 5-methyl-3-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one?
The InChIKey is IIPSAVUGNNWIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-10(2)5-14-9-24-18-15(14)16(21-12(4)22-18)19-8-13-6-11(3)7-20-17(13)23/h6-7,9-10H,5,8H2,1-4H3,(H,20,23)(H,19,21,22).
What are the key properties of 5-methyl-3-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one?
5-methyl-3-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one has a molecular weight of 342.47 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 167950213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).