5-amino-4-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide

C25H26N6O3S — CID 69284100

IUPAC5-amino-4-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CCO)CC(=O)Nc1cccc(-c2nc(-c3ccccc3)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C25H26N6O3S/c1-2-31(11-12-32)14-18(33)28-17-10-6-9-16(13-17)21-19-20(26)22(23(27)34)35-25(19)30-24(29-21)15-7-4-3-5-8-15/h3-10,13,32H,2,11-12,14,26H2,1H3,(H2,27,34)(H,28,33)
InChIKeyBYAYTDOQWALPLF-UHFFFAOYSA-N
MW490.59 g/mol
LogP2.96
Rot. Bonds9

About 5-amino-4-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-4-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 69284100) has the molecular formula C25H26N6O3S and a molecular weight of 490.59 g/mol. Its IUPAC name is 5-amino-4-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID69284100
Molecular FormulaC25H26N6O3S
Molecular Weight490.59 g/mol
Exact Mass490.18
IUPAC Name5-amino-4-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CCO)CC(=O)Nc1cccc(-c2nc(-c3ccccc3)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C25H26N6O3S/c1-2-31(11-12-32)14-18(33)28-17-10-6-9-16(13-17)21-19-20(26)22(23(27)34)35-25(19)30-24(29-21)15-7-4-3-5-8-15/h3-10,13,32H,2,11-12,14,26H2,1H3,(H2,27,34)(H,28,33)
InChIKeyBYAYTDOQWALPLF-UHFFFAOYSA-N
XLogP2.96
TPSA147.46 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide (CID 69284100) is 5-amino-4-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide is CCN(CCO)CC(=O)Nc1cccc(-c2nc(-c3ccccc3)nc3sc(C(N)=O)c(N)c23)c1.
What is the InChIKey of 5-amino-4-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BYAYTDOQWALPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S/c1-2-31(11-12-32)14-18(33)28-17-10-6-9-16(13-17)21-19-20(26)22(23(27)34)35-25(19)30-24(29-21)15-7-4-3-5-8-15/h3-10,13,32H,2,11-12,14,26H2,1H3,(H2,27,34)(H,28,33).
What are the key properties of 5-amino-4-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 490.59 g/mol, XLogP of 2.96, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 69284100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).