4-chloro-2-(1-methoxypropyl)-5,7-dihydrothieno[3,4-d]pyrimidine

C10H13ClN2OS — CID 116706709

IUPAC4-chloro-2-(1-methoxypropyl)-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCCC(OC)c1nc(Cl)c2c(n1)CSC2
InChIInChI=1S/C10H13ClN2OS/c1-3-8(14-2)10-12-7-5-15-4-6(7)9(11)13-10/h8H,3-5H2,1-2H3
InChIKeyORXAFGLEJWCFSP-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.97
Rot. Bonds3

About 4-chloro-2-(1-methoxypropyl)-5,7-dihydrothieno[3,4-d]pyrimidine

4-chloro-2-(1-methoxypropyl)-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 116706709) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 4-chloro-2-(1-methoxypropyl)-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-methoxypropyl)-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID116706709
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name4-chloro-2-(1-methoxypropyl)-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCCC(OC)c1nc(Cl)c2c(n1)CSC2
InChIInChI=1S/C10H13ClN2OS/c1-3-8(14-2)10-12-7-5-15-4-6(7)9(11)13-10/h8H,3-5H2,1-2H3
InChIKeyORXAFGLEJWCFSP-UHFFFAOYSA-N
XLogP2.97
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 116706710
4-chloro-2-[cyclopropyl(ethoxy)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine
CID 116706711
4-chloro-2-(1-methoxybutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 116706258
4-chloro-2-(1-ethoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470581
5-bromo-4-chloro-2-(1-methoxypropyl)-6-propan-2-ylpyrimidine
CID 116706501
4-chloro-2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83196343
4-tert-butyl-6-chloro-5-iodo-2-(1-methoxypropyl)pyrimidine
CID 116706468
2-(1-methoxypropyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741092
4-chloro-2-(methylsulfonylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83196980
4-chloro-2-pyrimidin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83191020
2-(2-bromo-4,5-dimethoxyphenyl)-4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83192450
4,6-dibromo-2-(1-methoxypropyl)pyrimidine
CID 116706768

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-methoxypropyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-2-(1-methoxypropyl)-5,7-dihydrothieno[3,4-d]pyrimidine (CID 116706709) is 4-chloro-2-(1-methoxypropyl)-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(1-methoxypropyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(1-methoxypropyl)-5,7-dihydrothieno[3,4-d]pyrimidine is CCC(OC)c1nc(Cl)c2c(n1)CSC2.
What is the InChIKey of 4-chloro-2-(1-methoxypropyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is ORXAFGLEJWCFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-3-8(14-2)10-12-7-5-15-4-6(7)9(11)13-10/h8H,3-5H2,1-2H3.
What are the key properties of 4-chloro-2-(1-methoxypropyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
4-chloro-2-(1-methoxypropyl)-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 244.75 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-methoxypropyl)-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 116706709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).