5-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one

C12H15N5OS — CID 103328237

IUPAC5-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCNc1nc(NCC2CCC(=O)N2)c2ccsc2n1
InChIInChI=1S/C12H15N5OS/c1-13-12-16-10(8-4-5-19-11(8)17-12)14-6-7-2-3-9(18)15-7/h4-5,7H,2-3,6H2,1H3,(H,15,18)(H2,13,14,16,17)
InChIKeyGOXIJCBOOFLUEO-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.42
Rot. Bonds4

About 5-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one

5-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 103328237) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
PubChem CID103328237
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name5-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCNc1nc(NCC2CCC(=O)N2)c2ccsc2n1
InChIInChI=1S/C12H15N5OS/c1-13-12-16-10(8-4-5-19-11(8)17-12)14-6-7-2-3-9(18)15-7/h4-5,7H,2-3,6H2,1H3,(H,15,18)(H2,13,14,16,17)
InChIKeyGOXIJCBOOFLUEO-UHFFFAOYSA-N
XLogP1.42
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-methyl-4-N-(thiolan-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329130
[2-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 103328659
3-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137981
4-N-(1,4-dithian-2-ylmethyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330218
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324409
5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 103328236
methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
CID 103324325
4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328357
N-ethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethanesulfonamide
CID 106343363
2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324522
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 106846941
2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 103325098

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one (CID 103328237) is 5-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one is CNc1nc(NCC2CCC(=O)N2)c2ccsc2n1.
What is the InChIKey of 5-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is GOXIJCBOOFLUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-13-12-16-10(8-4-5-19-11(8)17-12)14-6-7-2-3-9(18)15-7/h4-5,7H,2-3,6H2,1H3,(H,15,18)(H2,13,14,16,17).
What are the key properties of 5-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
5-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 277.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 103328237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).