N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine

C13H18N4OS — CID 103327467

IUPACN-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(N2CCCOC(C)C2)c2ccsc2n1
InChIInChI=1S/C13H18N4OS/c1-9-8-17(5-3-6-18-9)11-10-4-7-19-12(10)16-13(14-2)15-11/h4,7,9H,3,5-6,8H2,1-2H3,(H,14,15,16)
InChIKeyAKLPILHCONJBRB-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.35
Rot. Bonds2

About N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine

N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103327467) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103327467
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(N2CCCOC(C)C2)c2ccsc2n1
InChIInChI=1S/C13H18N4OS/c1-9-8-17(5-3-6-18-9)11-10-4-7-19-12(10)16-13(14-2)15-11/h4,7,9H,3,5-6,8H2,1-2H3,(H,14,15,16)
InChIKeyAKLPILHCONJBRB-UHFFFAOYSA-N
XLogP2.35
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-(2-methylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323884
N-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327477
N,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327472
N-ethyl-4-(2-methylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323885
4-(2-ethylmorpholin-4-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103325050
4-(3,4-dimethylpiperazin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327794
N-methyl-4-(2-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103330394
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103325254
5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine
CID 80823570
N-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103329872
6-ethyl-N-methyl-4-(2-methylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323888
1-[4-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 103323755

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine (CID 103327467) is N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine is CNc1nc(N2CCCOC(C)C2)c2ccsc2n1.
What is the InChIKey of N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is AKLPILHCONJBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9-8-17(5-3-6-18-9)11-10-4-7-19-12(10)16-13(14-2)15-11/h4,7,9H,3,5-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine?
N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 278.38 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103327467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).