4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol

C14H19N3O2S — CID 102687057

IUPAC4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
SMILESCc1csc2c(N(C)CC3(O)CCOCC3)ncnc12
InChIInChI=1S/C14H19N3O2S/c1-10-7-20-12-11(10)15-9-16-13(12)17(2)8-14(18)3-5-19-6-4-14/h7,9,18H,3-6,8H2,1-2H3
InChIKeyUMGMKUKJXDDKPH-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.98
Rot. Bonds3

About 4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol

4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol (PubChem CID 102687057) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
PubChem CID102687057
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
SMILESCc1csc2c(N(C)CC3(O)CCOCC3)ncnc12
InChIInChI=1S/C14H19N3O2S/c1-10-7-20-12-11(10)15-9-16-13(12)17(2)8-14(18)3-5-19-6-4-14/h7,9,18H,3-6,8H2,1-2H3
InChIKeyUMGMKUKJXDDKPH-UHFFFAOYSA-N
XLogP1.98
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol with MolForge

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Related Compounds

methyl 2-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate
CID 102687114
4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol
CID 114950333
4-[[(5-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114952153
4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954120
4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954252
1-methoxy-3-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propan-2-ol
CID 102687017
4-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954262
4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol
CID 114952384
N,7-dimethyl-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 171328912
N-[[4-(aminomethyl)phenyl]methyl]-N,7-dimethylthieno[3,2-d]pyrimidin-4-amine
CID 102686089
4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114951092
4-[[methyl-(3-methylquinolin-2-yl)amino]methyl]oxan-4-ol
CID 114952231

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol (CID 102687057) is 4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol is Cc1csc2c(N(C)CC3(O)CCOCC3)ncnc12.
What is the InChIKey of 4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol?
The InChIKey is UMGMKUKJXDDKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-7-20-12-11(10)15-9-16-13(12)17(2)8-14(18)3-5-19-6-4-14/h7,9,18H,3-6,8H2,1-2H3.
What are the key properties of 4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol?
4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol has a molecular weight of 293.39 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 102687057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).