6-(4-methoxyphenyl)-N-[(3R)-oxolan-3-yl]thieno[3,2-d]pyrimidin-4-amine

C17H17N3O2S — CID 166238983

IUPAC6-(4-methoxyphenyl)-N-[(3R)-oxolan-3-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2cc3ncnc(N[C@@H]4CCOC4)c3s2)cc1
InChIInChI=1S/C17H17N3O2S/c1-21-13-4-2-11(3-5-13)15-8-14-16(23-15)17(19-10-18-14)20-12-6-7-22-9-12/h2-5,8,10,12H,6-7,9H2,1H3,(H,18,19,20)/t12-/m1/s1
InChIKeyVGDYEJHSCSQLGY-GFCCVEGCSA-N
MW327.41 g/mol
LogP3.57
Rot. Bonds4

About 6-(4-methoxyphenyl)-N-[(3R)-oxolan-3-yl]thieno[3,2-d]pyrimidin-4-amine

6-(4-methoxyphenyl)-N-[(3R)-oxolan-3-yl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 166238983) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-[(3R)-oxolan-3-yl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-[(3R)-oxolan-3-yl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID166238983
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name6-(4-methoxyphenyl)-N-[(3R)-oxolan-3-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2cc3ncnc(N[C@@H]4CCOC4)c3s2)cc1
InChIInChI=1S/C17H17N3O2S/c1-21-13-4-2-11(3-5-13)15-8-14-16(23-15)17(19-10-18-14)20-12-6-7-22-9-12/h2-5,8,10,12H,6-7,9H2,1H3,(H,18,19,20)/t12-/m1/s1
InChIKeyVGDYEJHSCSQLGY-GFCCVEGCSA-N
XLogP3.57
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-[(3R)-oxolan-3-yl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-methoxyphenyl)-N-[(3R)-oxolan-3-yl]thieno[3,2-d]pyrimidin-4-amine (CID 166238983) is 6-(4-methoxyphenyl)-N-[(3R)-oxolan-3-yl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-[(3R)-oxolan-3-yl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-N-[(3R)-oxolan-3-yl]thieno[3,2-d]pyrimidin-4-amine is COc1ccc(-c2cc3ncnc(N[C@@H]4CCOC4)c3s2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-[(3R)-oxolan-3-yl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is VGDYEJHSCSQLGY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-21-13-4-2-11(3-5-13)15-8-14-16(23-15)17(19-10-18-14)20-12-6-7-22-9-12/h2-5,8,10,12H,6-7,9H2,1H3,(H,18,19,20)/t12-/m1/s1.
What are the key properties of 6-(4-methoxyphenyl)-N-[(3R)-oxolan-3-yl]thieno[3,2-d]pyrimidin-4-amine?
6-(4-methoxyphenyl)-N-[(3R)-oxolan-3-yl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 327.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-[(3R)-oxolan-3-yl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 166238983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).