N-[4-[[[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide

C24H25N5O2S — CID 46948008

IUPACN-[4-[[[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide
SMILESCOCCNc1nc(NCc2ccc(NC(C)=O)cc2)c2sc(-c3ccccc3)cc2n1
InChIInChI=1S/C24H25N5O2S/c1-16(30)27-19-10-8-17(9-11-19)15-26-23-22-20(28-24(29-23)25-12-13-31-2)14-21(32-22)18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3,(H,27,30)(H2,25,26,28,29)
InChIKeyFKVMNTWQPKEOQW-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.99
Rot. Bonds9

About N-[4-[[[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide

N-[4-[[[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide (PubChem CID 46948008) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[4-[[[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide
PubChem CID46948008
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-[4-[[[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide
SMILESCOCCNc1nc(NCc2ccc(NC(C)=O)cc2)c2sc(-c3ccccc3)cc2n1
InChIInChI=1S/C24H25N5O2S/c1-16(30)27-19-10-8-17(9-11-19)15-26-23-22-20(28-24(29-23)25-12-13-31-2)14-21(32-22)18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3,(H,27,30)(H2,25,26,28,29)
InChIKeyFKVMNTWQPKEOQW-UHFFFAOYSA-N
XLogP4.99
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 1485383
CID 1485383
CID 6540009
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CID 25263254
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CID 46227596
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CID 46227599
CID 46227599
CID 46227600
CID 46227600
CID 46227615
CID 46227615
CID 46227620
CID 46227620
CID 76310732
CID 76310732
CID 76310735
CID 76310735
CID 76310737
CID 76310737
CID 76314357
CID 76314357

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide (CID 46948008) is N-[4-[[[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide is COCCNc1nc(NCc2ccc(NC(C)=O)cc2)c2sc(-c3ccccc3)cc2n1.
What is the InChIKey of N-[4-[[[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide?
The InChIKey is FKVMNTWQPKEOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-16(30)27-19-10-8-17(9-11-19)15-26-23-22-20(28-24(29-23)25-12-13-31-2)14-21(32-22)18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3,(H,27,30)(H2,25,26,28,29).
What are the key properties of N-[4-[[[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide?
N-[4-[[[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide has a molecular weight of 447.56 g/mol, XLogP of 4.99, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 46948008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).