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

C12H18N4OS — CID 103328737

IUPAC3-methyl-4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
SMILESCNc1nc(NCC(C)CCO)c2ccsc2n1
InChIInChI=1S/C12H18N4OS/c1-8(3-5-17)7-14-10-9-4-6-18-11(9)16-12(13-2)15-10/h4,6,8,17H,3,5,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyXCZXYPNAVZXAAZ-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.16
Rot. Bonds6

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

3-methyl-4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 103328737) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-methyl-4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
PubChem CID103328737
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name3-methyl-4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
SMILESCNc1nc(NCC(C)CCO)c2ccsc2n1
InChIInChI=1S/C12H18N4OS/c1-8(3-5-17)7-14-10-9-4-6-18-11(9)16-12(13-2)15-10/h4,6,8,17H,3,5,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyXCZXYPNAVZXAAZ-UHFFFAOYSA-N
XLogP2.16
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
CID 106138174
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 106846941
4-methyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 106358078
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 103329081
2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 103325098
2,4-dimethyl-1-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
CID 103328744
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
CID 103324325
2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324758
[2-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 103328659
2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324522
2-N-methyl-4-N-(2-methylpentan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325944

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 3-methyl-4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol (CID 103328737) is 3-methyl-4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 3-methyl-4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 3-methyl-4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol is CNc1nc(NCC(C)CCO)c2ccsc2n1.
What is the InChIKey of 3-methyl-4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is XCZXYPNAVZXAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-8(3-5-17)7-14-10-9-4-6-18-11(9)16-12(13-2)15-10/h4,6,8,17H,3,5,7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 3-methyl-4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol?
3-methyl-4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 266.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 103328737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).