3-amino-2-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one

C16H17N3OS — CID 829260

IUPAC3-amino-2-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2scc(-c3ccc(C(C)C)cc3)c2c(=O)n1N
InChIInChI=1S/C16H17N3OS/c1-9(2)11-4-6-12(7-5-11)13-8-21-15-14(13)16(20)19(17)10(3)18-15/h4-9H,17H2,1-3H3
InChIKeyPLUVKHWPGYIJCZ-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.27
Rot. Bonds2

About 3-amino-2-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one

3-amino-2-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 829260) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-amino-2-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-2-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID829260
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-amino-2-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2scc(-c3ccc(C(C)C)cc3)c2c(=O)n1N
InChIInChI=1S/C16H17N3OS/c1-9(2)11-4-6-12(7-5-11)13-8-21-15-14(13)16(20)19(17)10(3)18-15/h4-9H,17H2,1-3H3
InChIKeyPLUVKHWPGYIJCZ-UHFFFAOYSA-N
XLogP3.27
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-amino-2-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one (CID 829260) is 3-amino-2-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-2-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-2-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one is Cc1nc2scc(-c3ccc(C(C)C)cc3)c2c(=O)n1N.
What is the InChIKey of 3-amino-2-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is PLUVKHWPGYIJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-9(2)11-4-6-12(7-5-11)13-8-21-15-14(13)16(20)19(17)10(3)18-15/h4-9H,17H2,1-3H3.
What are the key properties of 3-amino-2-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one?
3-amino-2-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 299.40 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 829260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).