3-amino-5-(4-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one

C15H14ClN3OS — CID 916151

IUPAC3-amino-5-(4-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one
SMILESCC(C)c1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N
InChIInChI=1S/C15H14ClN3OS/c1-8(2)13-18-14-12(15(20)19(13)17)11(7-21-14)9-3-5-10(16)6-4-9/h3-8H,17H2,1-2H3
InChIKeyRFRSNPNFAVILGX-UHFFFAOYSA-N
MW319.82 g/mol
LogP3.62
Rot. Bonds2

About 3-amino-5-(4-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one

3-amino-5-(4-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one (PubChem CID 916151) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 3-amino-5-(4-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-5-(4-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one
PubChem CID916151
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name3-amino-5-(4-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one
SMILESCC(C)c1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N
InChIInChI=1S/C15H14ClN3OS/c1-8(2)13-18-14-12(15(20)19(13)17)11(7-21-14)9-3-5-10(16)6-4-9/h3-8H,17H2,1-2H3
InChIKeyRFRSNPNFAVILGX-UHFFFAOYSA-N
XLogP3.62
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-amino-5-(4-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one (CID 916151) is 3-amino-5-(4-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-5-(4-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-5-(4-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one is CC(C)c1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N.
What is the InChIKey of 3-amino-5-(4-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is RFRSNPNFAVILGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-8(2)13-18-14-12(15(20)19(13)17)11(7-21-14)9-3-5-10(16)6-4-9/h3-8H,17H2,1-2H3.
What are the key properties of 3-amino-5-(4-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one?
3-amino-5-(4-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 319.82 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 916151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).