4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine

C12H16N4OS — CID 103325226

IUPAC4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCN(c1nc(N)nc2sccc12)C1CCOCC1
InChIInChI=1S/C12H16N4OS/c1-16(8-2-5-17-6-3-8)10-9-4-7-18-11(9)15-12(13)14-10/h4,7-8H,2-3,5-6H2,1H3,(H2,13,14,15)
InChIKeyIGVAPOGEHDHJHV-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.89
Rot. Bonds2

About 4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine

4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103325226) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103325226
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCN(c1nc(N)nc2sccc12)C1CCOCC1
InChIInChI=1S/C12H16N4OS/c1-16(8-2-5-17-6-3-8)10-9-4-7-18-11(9)15-12(13)14-10/h4,7-8H,2-3,5-6H2,1H3,(H2,13,14,15)
InChIKeyIGVAPOGEHDHJHV-UHFFFAOYSA-N
XLogP1.89
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-methyl-N-(oxan-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103320724
2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325225
4-N-(1,1-dioxothiolan-3-yl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325263
N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103335783
4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325760
N-(4,4-dimethylcyclohexyl)-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334638
4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325687
4-N-[1-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330589
N-(4-ethylcyclohexyl)-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103332677
4-N-methyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324681
3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 103326449
4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]benzonitrile
CID 103327486

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103325226) is 4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine is CN(c1nc(N)nc2sccc12)C1CCOCC1.
What is the InChIKey of 4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is IGVAPOGEHDHJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-16(8-2-5-17-6-3-8)10-9-4-7-18-11(9)15-12(13)14-10/h4,7-8H,2-3,5-6H2,1H3,(H2,13,14,15).
What are the key properties of 4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 264.35 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103325226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).