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

C12H18N4O2S — CID 103328768

IUPAC2-methyl-3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol
SMILESCNc1nc(NCC(C)(O)CO)c2cc(C)sc2n1
InChIInChI=1S/C12H18N4O2S/c1-7-4-8-9(14-5-12(2,18)6-17)15-11(13-3)16-10(8)19-7/h4,17-18H,5-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyVYZPJXKTXFRHDU-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.20
Rot. Bonds5

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

2-methyl-3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol (PubChem CID 103328768) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-methyl-3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol
PubChem CID103328768
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name2-methyl-3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol
SMILESCNc1nc(NCC(C)(O)CO)c2cc(C)sc2n1
InChIInChI=1S/C12H18N4O2S/c1-7-4-8-9(14-5-12(2,18)6-17)15-11(13-3)16-10(8)19-7/h4,17-18H,5-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyVYZPJXKTXFRHDU-UHFFFAOYSA-N
XLogP1.20
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 103334447
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 107324255
[2-[[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 103328663
4-N-(2,2-dimethylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325438
4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324744
3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179348
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80851413
2-N,6-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329068
2-N,6-dimethyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324125
4-N-[3-(diethylamino)propyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324349
4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324085

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol?
The IUPAC name of 2-methyl-3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol (CID 103328768) is 2-methyl-3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol.
What is the SMILES notation for 2-methyl-3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol?
The canonical SMILES for 2-methyl-3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol is CNc1nc(NCC(C)(O)CO)c2cc(C)sc2n1.
What is the InChIKey of 2-methyl-3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol?
The InChIKey is VYZPJXKTXFRHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-7-4-8-9(14-5-12(2,18)6-17)15-11(13-3)16-10(8)19-7/h4,17-18H,5-6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-methyl-3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol?
2-methyl-3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol has a molecular weight of 282.37 g/mol, XLogP of 1.20, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol is sourced from PubChem (CID 103328768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).