4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-(3-methylphenyl)benzamide

C21H18N4OS — CID 6539973

IUPAC4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1
InChIInChI=1S/C21H18N4OS/c1-12-4-3-5-16(10-12)25-20(26)15-8-6-14(7-9-15)17-13(2)27-21-18(17)19(22)23-11-24-21/h3-11H,1-2H3,(H,25,26)(H2,22,23,24)
InChIKeyRDDOTPKEALTYSN-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.81
Rot. Bonds3

About 4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-(3-methylphenyl)benzamide

4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-(3-methylphenyl)benzamide (PubChem CID 6539973) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-(3-methylphenyl)benzamide
PubChem CID6539973
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1
InChIInChI=1S/C21H18N4OS/c1-12-4-3-5-16(10-12)25-20(26)15-8-6-14(7-9-15)17-13(2)27-21-18(17)19(22)23-11-24-21/h3-11H,1-2H3,(H,25,26)(H2,22,23,24)
InChIKeyRDDOTPKEALTYSN-UHFFFAOYSA-N
XLogP4.81
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-(3-methylphenyl)benzamide?
The IUPAC name of 4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-(3-methylphenyl)benzamide (CID 6539973) is 4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-(3-methylphenyl)benzamide?
The canonical SMILES for 4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1.
What is the InChIKey of 4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-(3-methylphenyl)benzamide?
The InChIKey is RDDOTPKEALTYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-12-4-3-5-16(10-12)25-20(26)15-8-6-14(7-9-15)17-13(2)27-21-18(17)19(22)23-11-24-21/h3-11H,1-2H3,(H,25,26)(H2,22,23,24).
What are the key properties of 4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-(3-methylphenyl)benzamide?
4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-(3-methylphenyl)benzamide has a molecular weight of 374.47 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 6539973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).