6-(4-chlorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine

C19H20ClN3O2S — CID 133400003

IUPAC6-(4-chlorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCOC1(CNc2ncnc3cc(-c4ccc(Cl)cc4)sc23)CCOCC1
InChIInChI=1S/C19H20ClN3O2S/c1-24-19(6-8-25-9-7-19)11-21-18-17-15(22-12-23-18)10-16(26-17)13-2-4-14(20)5-3-13/h2-5,10,12H,6-9,11H2,1H3,(H,21,22,23)
InChIKeyBZHSKYSIUDFMMI-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.62
Rot. Bonds5

About 6-(4-chlorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine

6-(4-chlorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 133400003) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID133400003
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name6-(4-chlorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCOC1(CNc2ncnc3cc(-c4ccc(Cl)cc4)sc23)CCOCC1
InChIInChI=1S/C19H20ClN3O2S/c1-24-19(6-8-25-9-7-19)11-21-18-17-15(22-12-23-18)10-16(26-17)13-2-4-14(20)5-3-13/h2-5,10,12H,6-9,11H2,1H3,(H,21,22,23)
InChIKeyBZHSKYSIUDFMMI-UHFFFAOYSA-N
XLogP4.62
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 133299493
6-(4-chlorophenyl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 133344290
[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazine
CID 16776537
6-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 167950243
2-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]-N-prop-2-ynylacetamide
CID 133278091
6-(4-chlorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrimidin-4-amine
CID 133293089
6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine
CID 104759022
1-[3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 9104532
N-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 4782307
6-(4-methoxyphenyl)-N-[(3R)-oxolan-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 166238983
(2R)-1-N-[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]butane-1,2-diamine
CID 166381478
N-[(2-methoxyphenyl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine
CID 25164407

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-chlorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine (CID 133400003) is 6-(4-chlorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-chlorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine is COC1(CNc2ncnc3cc(-c4ccc(Cl)cc4)sc23)CCOCC1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is BZHSKYSIUDFMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-24-19(6-8-25-9-7-19)11-21-18-17-15(22-12-23-18)10-16(26-17)13-2-4-14(20)5-3-13/h2-5,10,12H,6-9,11H2,1H3,(H,21,22,23).
What are the key properties of 6-(4-chlorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
6-(4-chlorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 389.91 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 133400003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).