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

C12H17ClN2OS — CID 116706710

IUPAC4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCOC(c1nc(Cl)c2c(n1)CSC2)C(C)(C)C
InChIInChI=1S/C12H17ClN2OS/c1-12(2,3)9(16-4)11-14-8-6-17-5-7(8)10(13)15-11/h9H,5-6H2,1-4H3
InChIKeyWVYKUIJCCZHGSB-UHFFFAOYSA-N
MW272.80 g/mol
LogP3.61
Rot. Bonds2

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

4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 116706710) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID116706710
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCOC(c1nc(Cl)c2c(n1)CSC2)C(C)(C)C
InChIInChI=1S/C12H17ClN2OS/c1-12(2,3)9(16-4)11-14-8-6-17-5-7(8)10(13)15-11/h9H,5-6H2,1-4H3
InChIKeyWVYKUIJCCZHGSB-UHFFFAOYSA-N
XLogP3.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(1-methoxypropyl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 116706709
4-chloro-2-[cyclopropyl(ethoxy)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine
CID 116706711
2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116730068
5-bromo-4-tert-butyl-6-chloro-2-(1-methoxy-2,2-dimethylpropyl)pyrimidine
CID 116706460
4-chloro-2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83196343
2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728661
4-chloro-2-(2-phenylpropan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83195820
[2-(1-methoxy-2,2-dimethylpropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473586
4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5-methyl-6-phenylpyrimidine
CID 116706757
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
2-(1-ethoxy-2,2-dimethylpropyl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136983284

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5,7-dihydrothieno[3,4-d]pyrimidine (CID 116706710) is 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5,7-dihydrothieno[3,4-d]pyrimidine is COC(c1nc(Cl)c2c(n1)CSC2)C(C)(C)C.
What is the InChIKey of 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is WVYKUIJCCZHGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-12(2,3)9(16-4)11-14-8-6-17-5-7(8)10(13)15-11/h9H,5-6H2,1-4H3.
What are the key properties of 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 272.80 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 116706710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).