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

C20H16N4OS — CID 69058453

IUPAC4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-phenylbenzamide
SMILESCc1sc2ncnc(N)c2c1-c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H16N4OS/c1-12-16(17-18(21)22-11-23-20(17)26-12)13-7-9-14(10-8-13)19(25)24-15-5-3-2-4-6-15/h2-11H,1H3,(H,24,25)(H2,21,22,23)
InChIKeyPBGIKXKKWWMAEV-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.50
Rot. Bonds3

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

4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-phenylbenzamide (PubChem CID 69058453) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-phenylbenzamide.

Molecular Properties

Compound Name4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-phenylbenzamide
PubChem CID69058453
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-phenylbenzamide
SMILESCc1sc2ncnc(N)c2c1-c1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H16N4OS/c1-12-16(17-18(21)22-11-23-20(17)26-12)13-7-9-14(10-8-13)19(25)24-15-5-3-2-4-6-15/h2-11H,1H3,(H,24,25)(H2,21,22,23)
InChIKeyPBGIKXKKWWMAEV-UHFFFAOYSA-N
XLogP4.50
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(4-fluorophenyl)urea
CID 6539995
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 6539992
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-fluorophenyl)urea;isocyanic acid
CID 172778182
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 69058067
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-fluorophenyl)urea
CID 69060088
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-chlorophenyl)urea
CID 69062724
4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzamide
CID 21009309
(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 735300
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(3-ethylphenyl)urea
CID 69056231
methyl 4-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate
CID 1186201
4-amino-2-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-4-oxobutanoic acid
CID 82022216
1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(4-methylsulfanylphenyl)urea
CID 69056645

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-phenylbenzamide?
The IUPAC name of 4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-phenylbenzamide (CID 69058453) is 4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-phenylbenzamide.
What is the SMILES notation for 4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-phenylbenzamide?
The canonical SMILES for 4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-phenylbenzamide is Cc1sc2ncnc(N)c2c1-c1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-phenylbenzamide?
The InChIKey is PBGIKXKKWWMAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-12-16(17-18(21)22-11-23-20(17)26-12)13-7-9-14(10-8-13)19(25)24-15-5-3-2-4-6-15/h2-11H,1H3,(H,24,25)(H2,21,22,23).
What are the key properties of 4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-phenylbenzamide?
4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-N-phenylbenzamide has a molecular weight of 360.44 g/mol, XLogP of 4.50, 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-phenylbenzamide is sourced from PubChem (CID 69058453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).