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

C14H20N4OS — CID 103327476

IUPACN-ethyl-6-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(N2CCCOCC2)c2cc(C)sc2n1
InChIInChI=1S/C14H20N4OS/c1-3-15-14-16-12(18-5-4-7-19-8-6-18)11-9-10(2)20-13(11)17-14/h9H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyAHXCAXNACRYMCE-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.66
Rot. Bonds3

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

N-ethyl-6-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103327476) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-ethyl-6-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103327476
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-ethyl-6-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(N2CCCOCC2)c2cc(C)sc2n1
InChIInChI=1S/C14H20N4OS/c1-3-15-14-16-12(18-5-4-7-19-8-6-18)11-9-10(2)20-13(11)17-14/h9H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyAHXCAXNACRYMCE-UHFFFAOYSA-N
XLogP2.66
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
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-ethyl-6-methyl-4-(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

4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103323872
4-(2,2-dimethylmorpholin-4-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103325205
6-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103326239
N-ethyl-6-methyl-4-(4-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103330991
2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 50946840
N,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327472
4-(2,4-dimethylpyrrolidin-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103330576
4-(2-ethylmorpholin-4-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103325054
2-N-ethyl-4-N,6-dimethyl-4-N-(oxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329424
2-N-ethyl-4-N-(3-ethylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328434
2-N-ethyl-6-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327339
5-(6-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 59829563

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-6-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine (CID 103327476) is N-ethyl-6-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-6-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-6-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine is CCNc1nc(N2CCCOCC2)c2cc(C)sc2n1.
What is the InChIKey of N-ethyl-6-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is AHXCAXNACRYMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-15-14-16-12(18-5-4-7-19-8-6-18)11-9-10(2)20-13(11)17-14/h9H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-6-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine?
N-ethyl-6-methyl-4-(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, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103327476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).