3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutan-1-ol

C12H16N4OS — CID 103328691

IUPAC3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutan-1-ol
SMILESCNc1nc(NC2CC(O)C2)c2cc(C)sc2n1
InChIInChI=1S/C12H16N4OS/c1-6-3-9-10(14-7-4-8(17)5-7)15-12(13-2)16-11(9)18-6/h3,7-8,17H,4-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyHQFOVLOKLIQBEJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.98
Rot. Bonds3

About 3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutan-1-ol

3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutan-1-ol (PubChem CID 103328691) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutan-1-ol
PubChem CID103328691
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutan-1-ol
SMILESCNc1nc(NC2CC(O)C2)c2cc(C)sc2n1
InChIInChI=1S/C12H16N4OS/c1-6-3-9-10(14-7-4-8(17)5-7)15-12(13-2)16-11(9)18-6/h3,7-8,17H,4-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyHQFOVLOKLIQBEJ-UHFFFAOYSA-N
XLogP1.98
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutan-1-ol with MolForge

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Related Compounds

4-N-cyclopropyl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324095
4-N-(3,4-dimethylcyclohexyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328381
2-N,6-dimethyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325220
2-N,6-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324733
2-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325873
4-N-(1-ethylpiperidin-3-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326015
[2-[[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 103328663
2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 103333417
4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324744
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
2-N,6-dimethyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324125
1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol
CID 103327446

Frequently Asked Questions

What is the IUPAC name of 3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutan-1-ol?
The IUPAC name of 3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutan-1-ol (CID 103328691) is 3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutan-1-ol?
The canonical SMILES for 3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutan-1-ol is CNc1nc(NC2CC(O)C2)c2cc(C)sc2n1.
What is the InChIKey of 3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutan-1-ol?
The InChIKey is HQFOVLOKLIQBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-6-3-9-10(14-7-4-8(17)5-7)15-12(13-2)16-11(9)18-6/h3,7-8,17H,4-5H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutan-1-ol?
3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutan-1-ol has a molecular weight of 264.35 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutan-1-ol is sourced from PubChem (CID 103328691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).