N,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine

C14H20N4OS — CID 103327472

IUPACN,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(N2CCCOC(C)C2)c2cc(C)sc2n1
InChIInChI=1S/C14H20N4OS/c1-9-8-18(5-4-6-19-9)12-11-7-10(2)20-13(11)17-14(15-3)16-12/h7,9H,4-6,8H2,1-3H3,(H,15,16,17)
InChIKeyTUOLLWYMJYFQAA-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.66
Rot. Bonds2

About N,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine

N,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103327472) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103327472
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(N2CCCOC(C)C2)c2cc(C)sc2n1
InChIInChI=1S/C14H20N4OS/c1-9-8-18(5-4-6-19-9)12-11-7-10(2)20-13(11)17-14(15-3)16-12/h7,9H,4-6,8H2,1-3H3,(H,15,16,17)
InChIKeyTUOLLWYMJYFQAA-UHFFFAOYSA-N
XLogP2.66
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327467
6-ethyl-N-methyl-4-(2-methylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323888
4-(3,4-dimethylpyrrolidin-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103328825
4-(2-ethylmorpholin-4-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103325054
1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol
CID 103327446
4-(2-ethylthiomorpholin-4-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103330530
N-methyl-4-(2-methylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323884
5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine
CID 80823570
2-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103329718
N-ethyl-6-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327476
[4-(3,4-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103335803
4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103329896

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine (CID 103327472) is N,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine is CNc1nc(N2CCCOC(C)C2)c2cc(C)sc2n1.
What is the InChIKey of N,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is TUOLLWYMJYFQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-9-8-18(5-4-6-19-9)12-11-7-10(2)20-13(11)17-14(15-3)16-12/h7,9H,4-6,8H2,1-3H3,(H,15,16,17).
What are the key properties of N,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine?
N,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 292.41 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103327472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).