3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one

C14H10Cl2N2OS — CID 102685639

IUPAC3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(Cc3c(Cl)cccc3Cl)cnc12
InChIInChI=1S/C14H10Cl2N2OS/c1-8-6-20-13-12(8)17-7-18(14(13)19)5-9-10(15)3-2-4-11(9)16/h2-4,6-7H,5H2,1H3
InChIKeyYWQDMMZDXSGMKJ-UHFFFAOYSA-N
MW325.22 g/mol
LogP4.12
Rot. Bonds2

About 3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one

3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 102685639) has the molecular formula C14H10Cl2N2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID102685639
Molecular FormulaC14H10Cl2N2OS
Molecular Weight325.22 g/mol
Exact Mass323.99
IUPAC Name3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(Cc3c(Cl)cccc3Cl)cnc12
InChIInChI=1S/C14H10Cl2N2OS/c1-8-6-20-13-12(8)17-7-18(14(13)19)5-9-10(15)3-2-4-11(9)16/h2-4,6-7H,5H2,1H3
InChIKeyYWQDMMZDXSGMKJ-UHFFFAOYSA-N
XLogP4.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one (CID 102685639) is 3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one is Cc1csc2c(=O)n(Cc3c(Cl)cccc3Cl)cnc12.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is YWQDMMZDXSGMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2OS/c1-8-6-20-13-12(8)17-7-18(14(13)19)5-9-10(15)3-2-4-11(9)16/h2-4,6-7H,5H2,1H3.
What are the key properties of 3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 325.22 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 102685639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).