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

C13H20N4OS — CID 106358078

IUPAC4-methyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
SMILESCNc1nc(NC(CCO)C(C)C)c2ccsc2n1
InChIInChI=1S/C13H20N4OS/c1-8(2)10(4-6-18)15-11-9-5-7-19-12(9)17-13(14-3)16-11/h5,7-8,10,18H,4,6H2,1-3H3,(H2,14,15,16,17)
InChIKeyWBKXSWQOGIWVLF-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.55
Rot. Bonds6

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

4-methyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 106358078) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-methyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
PubChem CID106358078
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name4-methyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
SMILESCNc1nc(NC(CCO)C(C)C)c2ccsc2n1
InChIInChI=1S/C13H20N4OS/c1-8(2)10(4-6-18)15-11-9-5-7-19-12(9)17-13(14-3)16-11/h5,7-8,10,18H,4,6H2,1-3H3,(H2,14,15,16,17)
InChIKeyWBKXSWQOGIWVLF-UHFFFAOYSA-N
XLogP2.55
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-methyl-4-N-(2-methylpentan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325944
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 103329081
3-methyl-4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103328737
2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324758
4-N-[1-(diethylamino)propan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326985
4-N-(4-methoxybutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328328
4-N-[1-(dimethylamino)propan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329471
5-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
CID 106138174
2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324196
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 106846941
N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
CID 103329780
4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329698

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of 4-methyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol (CID 106358078) is 4-methyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for 4-methyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for 4-methyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol is CNc1nc(NC(CCO)C(C)C)c2ccsc2n1.
What is the InChIKey of 4-methyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is WBKXSWQOGIWVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-8(2)10(4-6-18)15-11-9-5-7-19-12(9)17-13(14-3)16-11/h5,7-8,10,18H,4,6H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-methyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol?
4-methyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 280.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 106358078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).