4-(2,6-dimethyloxan-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine

C14H19N3O2S — CID 103333385

IUPAC4-(2,6-dimethyloxan-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(OC2CC(C)OC(C)C2)c2ccsc2n1
InChIInChI=1S/C14H19N3O2S/c1-8-6-10(7-9(2)18-8)19-12-11-4-5-20-13(11)17-14(15-3)16-12/h4-5,8-10H,6-7H2,1-3H3,(H,15,16,17)
InChIKeyKFXNAFGNXBBJPC-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.07
Rot. Bonds3

About 4-(2,6-dimethyloxan-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine

4-(2,6-dimethyloxan-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103333385) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-(2,6-dimethyloxan-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethyloxan-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103333385
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-(2,6-dimethyloxan-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(OC2CC(C)OC(C)C2)c2ccsc2n1
InChIInChI=1S/C14H19N3O2S/c1-8-6-10(7-9(2)18-8)19-12-11-4-5-20-13(11)17-14(15-3)16-12/h4-5,8-10H,6-7H2,1-3H3,(H,15,16,17)
InChIKeyKFXNAFGNXBBJPC-UHFFFAOYSA-N
XLogP3.07
TPSA56.27 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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclohexylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332489
N-methyl-4-prop-2-enoxythieno[2,3-d]pyrimidin-2-amine
CID 103331220
N-methyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine
CID 103331246
4-(3,5-dimethylcyclohexyl)oxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103332845
N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333001
4-but-3-yn-2-yloxy-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 106795448
N-methyl-4-(2-methylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323884
4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332516
2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327381
[2-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]methanol
CID 103332566
4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332016
N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327467

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyloxan-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(2,6-dimethyloxan-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine (CID 103333385) is 4-(2,6-dimethyloxan-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-dimethyloxan-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(2,6-dimethyloxan-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(OC2CC(C)OC(C)C2)c2ccsc2n1.
What is the InChIKey of 4-(2,6-dimethyloxan-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is KFXNAFGNXBBJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-8-6-10(7-9(2)18-8)19-12-11-4-5-20-13(11)17-14(15-3)16-12/h4-5,8-10H,6-7H2,1-3H3,(H,15,16,17).
What are the key properties of 4-(2,6-dimethyloxan-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine?
4-(2,6-dimethyloxan-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 293.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyloxan-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103333385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).