2-(1,3-oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride

C17H16ClN5OS — CID 68587578

IUPAC2-(1,3-oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCCC(c1ccccn1)c1cc2c(N)nc(-c3ncco3)nc2s1.Cl
InChIInChI=1S/C17H15N5OS.ClH/c1-2-10(12-5-3-4-6-19-12)13-9-11-14(18)21-15(22-17(11)24-13)16-20-7-8-23-16;/h3-10H,2H2,1H3,(H2,18,21,22);1H
InChIKeyXCSKXYMCLURDGG-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.29
Rot. Bonds4

About 2-(1,3-oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride

2-(1,3-oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 68587578) has the molecular formula C17H16ClN5OS and a molecular weight of 373.87 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-(1,3-oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID68587578
Molecular FormulaC17H16ClN5OS
Molecular Weight373.87 g/mol
Exact Mass373.08
IUPAC Name2-(1,3-oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCCC(c1ccccn1)c1cc2c(N)nc(-c3ncco3)nc2s1.Cl
InChIInChI=1S/C17H15N5OS.ClH/c1-2-10(12-5-3-4-6-19-12)13-9-11-14(18)21-15(22-17(11)24-13)16-20-7-8-23-16;/h3-10H,2H2,1H3,(H2,18,21,22);1H
InChIKeyXCSKXYMCLURDGG-UHFFFAOYSA-N
XLogP4.29
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1,3-oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-(1,3-oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride (CID 68587578) is 2-(1,3-oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-(1,3-oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-(1,3-oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride is CCC(c1ccccn1)c1cc2c(N)nc(-c3ncco3)nc2s1.Cl.
What is the InChIKey of 2-(1,3-oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is XCSKXYMCLURDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS.ClH/c1-2-10(12-5-3-4-6-19-12)13-9-11-14(18)21-15(22-17(11)24-13)16-20-7-8-23-16;/h3-10H,2H2,1H3,(H2,18,21,22);1H.
What are the key properties of 2-(1,3-oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
2-(1,3-oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 373.87 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 68587578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).