(2R)-1-N-[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]butane-1,2-diamine

C17H20N4OS — CID 166381478

IUPAC(2R)-1-N-[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]butane-1,2-diamine
SMILESCC[C@@H](N)CNc1ncnc2cc(-c3ccc(OC)cc3)sc12
InChIInChI=1S/C17H20N4OS/c1-3-12(18)9-19-17-16-14(20-10-21-17)8-15(23-16)11-4-6-13(22-2)7-5-11/h4-8,10,12H,3,9,18H2,1-2H3,(H,19,20,21)/t12-/m1/s1
InChIKeyIHLZJXQAVOQDIU-GFCCVEGCSA-N
MW328.44 g/mol
LogP3.52
Rot. Bonds6

About (2R)-1-N-[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]butane-1,2-diamine

(2R)-1-N-[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]butane-1,2-diamine (PubChem CID 166381478) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is (2R)-1-N-[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]butane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]butane-1,2-diamine
PubChem CID166381478
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name(2R)-1-N-[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]butane-1,2-diamine
SMILESCC[C@@H](N)CNc1ncnc2cc(-c3ccc(OC)cc3)sc12
InChIInChI=1S/C17H20N4OS/c1-3-12(18)9-19-17-16-14(20-10-21-17)8-15(23-16)11-4-6-13(22-2)7-5-11/h4-8,10,12H,3,9,18H2,1-2H3,(H,19,20,21)/t12-/m1/s1
InChIKeyIHLZJXQAVOQDIU-GFCCVEGCSA-N
XLogP3.52
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]butane-1,2-diamine?
The IUPAC name of (2R)-1-N-[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]butane-1,2-diamine (CID 166381478) is (2R)-1-N-[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]butane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]butane-1,2-diamine?
The canonical SMILES for (2R)-1-N-[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]butane-1,2-diamine is CC[C@@H](N)CNc1ncnc2cc(-c3ccc(OC)cc3)sc12.
What is the InChIKey of (2R)-1-N-[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]butane-1,2-diamine?
The InChIKey is IHLZJXQAVOQDIU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-3-12(18)9-19-17-16-14(20-10-21-17)8-15(23-16)11-4-6-13(22-2)7-5-11/h4-8,10,12H,3,9,18H2,1-2H3,(H,19,20,21)/t12-/m1/s1.
What are the key properties of (2R)-1-N-[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]butane-1,2-diamine?
(2R)-1-N-[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]butane-1,2-diamine has a molecular weight of 328.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]butane-1,2-diamine is sourced from PubChem (CID 166381478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).