N-benzyl-5-chloro-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

C17H13ClN4OS — CID 18460168

IUPACN-benzyl-5-chloro-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3ccno3)nc(NCc3ccccc3)c2c1Cl
InChIInChI=1S/C17H13ClN4OS/c1-10-14(18)13-16(19-9-11-5-3-2-4-6-11)21-15(22-17(13)24-10)12-7-8-20-23-12/h2-8H,9H2,1H3,(H,19,21,22)
InChIKeyXQRPJYIEYJBZJQ-UHFFFAOYSA-N
MW356.84 g/mol
LogP4.92
Rot. Bonds4

About N-benzyl-5-chloro-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

N-benzyl-5-chloro-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18460168) has the molecular formula C17H13ClN4OS and a molecular weight of 356.84 g/mol. Its IUPAC name is N-benzyl-5-chloro-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-5-chloro-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID18460168
Molecular FormulaC17H13ClN4OS
Molecular Weight356.84 g/mol
Exact Mass356.05
IUPAC NameN-benzyl-5-chloro-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3ccno3)nc(NCc3ccccc3)c2c1Cl
InChIInChI=1S/C17H13ClN4OS/c1-10-14(18)13-16(19-9-11-5-3-2-4-6-11)21-15(22-17(13)24-10)12-7-8-20-23-12/h2-8H,9H2,1H3,(H,19,21,22)
InChIKeyXQRPJYIEYJBZJQ-UHFFFAOYSA-N
XLogP4.92
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-5-chloro-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (CID 18460168) is N-benzyl-5-chloro-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-5-chloro-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-5-chloro-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(-c3ccno3)nc(NCc3ccccc3)c2c1Cl.
What is the InChIKey of N-benzyl-5-chloro-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XQRPJYIEYJBZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4OS/c1-10-14(18)13-16(19-9-11-5-3-2-4-6-11)21-15(22-17(13)24-10)12-7-8-20-23-12/h2-8H,9H2,1H3,(H,19,21,22).
What are the key properties of N-benzyl-5-chloro-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
N-benzyl-5-chloro-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 356.84 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18460168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).