2-chloro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxythieno[2,3-d]pyrimidine

C16H21ClN2OS — CID 103319755

IUPAC2-chloro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxythieno[2,3-d]pyrimidine
SMILESCC1CCC(C(C)C)C(Oc2nc(Cl)nc3sccc23)C1
InChIInChI=1S/C16H21ClN2OS/c1-9(2)11-5-4-10(3)8-13(11)20-14-12-6-7-21-15(12)19-16(17)18-14/h6-7,9-11,13H,4-5,8H2,1-3H3
InChIKeyVISZRNHUWKJNNE-UHFFFAOYSA-N
MW324.88 g/mol
LogP5.18
Rot. Bonds3

About 2-chloro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxythieno[2,3-d]pyrimidine

2-chloro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxythieno[2,3-d]pyrimidine (PubChem CID 103319755) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is 2-chloro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxythieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxythieno[2,3-d]pyrimidine
PubChem CID103319755
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name2-chloro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxythieno[2,3-d]pyrimidine
SMILESCC1CCC(C(C)C)C(Oc2nc(Cl)nc3sccc23)C1
InChIInChI=1S/C16H21ClN2OS/c1-9(2)11-5-4-10(3)8-13(11)20-14-12-6-7-21-15(12)19-16(17)18-14/h6-7,9-11,13H,4-5,8H2,1-3H3
InChIKeyVISZRNHUWKJNNE-UHFFFAOYSA-N
XLogP5.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.88
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxythieno[2,3-d]pyrimidine 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

6-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-nitropyridine
CID 43330212
6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-2,3-diamine
CID 79827219
3-(chloromethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine
CID 63446048
3-chloro-4-[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzonitrile
CID 143166019
2-chloro-4-ethoxythieno[2,3-d]pyrimidine
CID 103319715
5-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-2-carboxylic acid
CID 114408588
2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-3-sulfonyl chloride
CID 115928448
2-(chloromethyl)-5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1,3,4-thiadiazole
CID 80619230
2,5-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine
CID 80860237
1-(chloromethyl)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzene
CID 178071017
4-chloro-2-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine
CID 80944444
1-[5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-pyridinyl]ethanamine
CID 83127834

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxythieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxythieno[2,3-d]pyrimidine (CID 103319755) is 2-chloro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxythieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxythieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxythieno[2,3-d]pyrimidine is CC1CCC(C(C)C)C(Oc2nc(Cl)nc3sccc23)C1.
What is the InChIKey of 2-chloro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxythieno[2,3-d]pyrimidine?
The InChIKey is VISZRNHUWKJNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c1-9(2)11-5-4-10(3)8-13(11)20-14-12-6-7-21-15(12)19-16(17)18-14/h6-7,9-11,13H,4-5,8H2,1-3H3.
What are the key properties of 2-chloro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxythieno[2,3-d]pyrimidine?
2-chloro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxythieno[2,3-d]pyrimidine has a molecular weight of 324.88 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxythieno[2,3-d]pyrimidine is sourced from PubChem (CID 103319755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).