4-[[4-(methylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-N-phenylbenzamide

C20H17N5OS — CID 169002175

IUPAC4-[[4-(methylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-N-phenylbenzamide
SMILESCNc1nc(Nc2ccc(C(=O)Nc3ccccc3)cc2)nc2ccsc12
InChIInChI=1S/C20H17N5OS/c1-21-18-17-16(11-12-27-17)24-20(25-18)23-15-9-7-13(8-10-15)19(26)22-14-5-3-2-4-6-14/h2-12H,1H3,(H,22,26)(H2,21,23,24,25)
InChIKeyOMFVPVPCHBWRRQ-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.73
Rot. Bonds5

About 4-[[4-(methylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-N-phenylbenzamide

4-[[4-(methylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-N-phenylbenzamide (PubChem CID 169002175) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is 4-[[4-(methylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[4-(methylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-N-phenylbenzamide
PubChem CID169002175
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name4-[[4-(methylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-N-phenylbenzamide
SMILESCNc1nc(Nc2ccc(C(=O)Nc3ccccc3)cc2)nc2ccsc12
InChIInChI=1S/C20H17N5OS/c1-21-18-17-16(11-12-27-17)24-20(25-18)23-15-9-7-13(8-10-15)19(26)22-14-5-3-2-4-6-14/h2-12H,1H3,(H,22,26)(H2,21,23,24,25)
InChIKeyOMFVPVPCHBWRRQ-UHFFFAOYSA-N
XLogP4.73
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
N-[4-[4-(anilinocarbamoyl)anilino]phenyl]benzamide
CID 139914016
N-phenyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 68772561
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
CID 10090314
4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 144822340
2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334677
4-(phenylcarbamoyl)benzoate
CID 158012761
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
N-[3-[2-(4-methoxyanilino)thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
CID 162676477
4-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylbenzamide
CID 21104209

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-N-phenylbenzamide?
The IUPAC name of 4-[[4-(methylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-N-phenylbenzamide (CID 169002175) is 4-[[4-(methylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-N-phenylbenzamide.
What is the SMILES notation for 4-[[4-(methylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-N-phenylbenzamide?
The canonical SMILES for 4-[[4-(methylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-N-phenylbenzamide is CNc1nc(Nc2ccc(C(=O)Nc3ccccc3)cc2)nc2ccsc12.
What is the InChIKey of 4-[[4-(methylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-N-phenylbenzamide?
The InChIKey is OMFVPVPCHBWRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-21-18-17-16(11-12-27-17)24-20(25-18)23-15-9-7-13(8-10-15)19(26)22-14-5-3-2-4-6-14/h2-12H,1H3,(H,22,26)(H2,21,23,24,25).
What are the key properties of 4-[[4-(methylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-N-phenylbenzamide?
4-[[4-(methylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-N-phenylbenzamide has a molecular weight of 375.46 g/mol, XLogP of 4.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-N-phenylbenzamide is sourced from PubChem (CID 169002175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).