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

C21H18N4OS — CID 6539969

IUPACN-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1
InChIInChI=1S/C21H18N4OS/c1-12-4-3-5-15(10-12)20(26)25-16-8-6-14(7-9-16)17-13(2)27-21-18(17)19(22)23-11-24-21/h3-11H,1-2H3,(H,25,26)(H2,22,23,24)
InChIKeyVCLBAQNLICMTAB-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.81
Rot. Bonds3

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

N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-methylbenzamide (PubChem CID 6539969) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-methylbenzamide
PubChem CID6539969
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC NameN-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1
InChIInChI=1S/C21H18N4OS/c1-12-4-3-5-15(10-12)20(26)25-16-8-6-14(7-9-16)17-13(2)27-21-18(17)19(22)23-11-24-21/h3-11H,1-2H3,(H,25,26)(H2,22,23,24)
InChIKeyVCLBAQNLICMTAB-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 N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-methylbenzamide (CID 6539969) is N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1.
What is the InChIKey of N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-methylbenzamide?
The InChIKey is VCLBAQNLICMTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-12-4-3-5-15(10-12)20(26)25-16-8-6-14(7-9-16)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 N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-methylbenzamide?
N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-methylbenzamide 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 N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-methylbenzamide is sourced from PubChem (CID 6539969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).