4-chloro-2-[cyclopropyl(ethoxy)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine

C12H15ClN2OS — CID 116706711

IUPAC4-chloro-2-[cyclopropyl(ethoxy)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCCOC(c1nc(Cl)c2c(n1)CSC2)C1CC1
InChIInChI=1S/C12H15ClN2OS/c1-2-16-10(7-3-4-7)12-14-9-6-17-5-8(9)11(13)15-12/h7,10H,2-6H2,1H3
InChIKeyFHMCGMCQXUJQGM-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.36
Rot. Bonds4

About 4-chloro-2-[cyclopropyl(ethoxy)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine

4-chloro-2-[cyclopropyl(ethoxy)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 116706711) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is 4-chloro-2-[cyclopropyl(ethoxy)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[cyclopropyl(ethoxy)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID116706711
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC Name4-chloro-2-[cyclopropyl(ethoxy)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCCOC(c1nc(Cl)c2c(n1)CSC2)C1CC1
InChIInChI=1S/C12H15ClN2OS/c1-2-16-10(7-3-4-7)12-14-9-6-17-5-8(9)11(13)15-12/h7,10H,2-6H2,1H3
InChIKeyFHMCGMCQXUJQGM-UHFFFAOYSA-N
XLogP3.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-[cyclopropyl(ethoxy)methyl]-5,7-dihydrothieno[3,4-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

4-chloro-2-(1-methoxypropyl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 116706709
4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine
CID 116706453
4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 116706710
2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728665
4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine
CID 116746025
2-[cyclopropyl(ethoxy)methyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741382
4-cyclopropyl-2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739764
[2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116730274
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 116728703
(1S)-1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901845
3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116703876
N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 116731734

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[cyclopropyl(ethoxy)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-2-[cyclopropyl(ethoxy)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine (CID 116706711) is 4-chloro-2-[cyclopropyl(ethoxy)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-[cyclopropyl(ethoxy)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-2-[cyclopropyl(ethoxy)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine is CCOC(c1nc(Cl)c2c(n1)CSC2)C1CC1.
What is the InChIKey of 4-chloro-2-[cyclopropyl(ethoxy)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is FHMCGMCQXUJQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c1-2-16-10(7-3-4-7)12-14-9-6-17-5-8(9)11(13)15-12/h7,10H,2-6H2,1H3.
What are the key properties of 4-chloro-2-[cyclopropyl(ethoxy)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine?
4-chloro-2-[cyclopropyl(ethoxy)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 270.78 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[cyclopropyl(ethoxy)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 116706711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).