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

C12H17N3O2S — CID 102687017

IUPAC1-methoxy-3-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propan-2-ol
SMILESCOCC(O)CN(C)c1ncnc2c(C)csc12
InChIInChI=1S/C12H17N3O2S/c1-8-6-18-11-10(8)13-7-14-12(11)15(2)4-9(16)5-17-3/h6-7,9,16H,4-5H2,1-3H3
InChIKeyYTZDPPGTLPLYOG-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.44
Rot. Bonds5

About 1-methoxy-3-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propan-2-ol

1-methoxy-3-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propan-2-ol (PubChem CID 102687017) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-methoxy-3-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propan-2-ol
PubChem CID102687017
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name1-methoxy-3-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propan-2-ol
SMILESCOCC(O)CN(C)c1ncnc2c(C)csc12
InChIInChI=1S/C12H17N3O2S/c1-8-6-18-11-10(8)13-7-14-12(11)15(2)4-9(16)5-17-3/h6-7,9,16H,4-5H2,1-3H3
InChIKeyYTZDPPGTLPLYOG-UHFFFAOYSA-N
XLogP1.44
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methoxy-3-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propan-2-ol with MolForge

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Related Compounds

methyl 2-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate
CID 102687114
1-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)hydrazine
CID 146460535
N,7-dimethyl-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 171328912
4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 102687057
N-(2-chloroethyl)-7-methyl-N-pentan-3-ylthieno[3,2-d]pyrimidin-4-amine
CID 102687245
1-methoxy-3-[methyl-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol
CID 80632443
1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 54994894
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 113420435
1-methoxy-3-[methyl-(3-methylquinoxalin-2-yl)amino]propan-2-ol
CID 62375523
7-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 102686927
N-(2-chloro-3-methoxypropyl)-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 55184952
(2S)-1-[(4-ethyl-5-methylpyrimidin-2-yl)-methylamino]-3-methoxypropan-2-ol
CID 126426597

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propan-2-ol (CID 102687017) is 1-methoxy-3-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propan-2-ol is COCC(O)CN(C)c1ncnc2c(C)csc12.
What is the InChIKey of 1-methoxy-3-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is YTZDPPGTLPLYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-8-6-18-11-10(8)13-7-14-12(11)15(2)4-9(16)5-17-3/h6-7,9,16H,4-5H2,1-3H3.
What are the key properties of 1-methoxy-3-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propan-2-ol?
1-methoxy-3-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 267.35 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 102687017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).