2-(2-aminopyrimidin-5-yl)-N'-(4-methoxybenzoyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbohydrazide

C23H22N8O4S — CID 164516867

IUPAC2-(2-aminopyrimidin-5-yl)-N'-(4-methoxybenzoyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)cc1
InChIInChI=1S/C23H22N8O4S/c1-34-15-4-2-13(3-5-15)21(32)29-30-22(33)17-10-16-18(36-17)20(31-6-8-35-9-7-31)28-19(27-16)14-11-25-23(24)26-12-14/h2-5,10-12H,6-9H2,1H3,(H,29,32)(H,30,33)(H2,24,25,26)
InChIKeyAIGSGJXYLHDMBA-UHFFFAOYSA-N
MW506.55 g/mol
LogP1.65
Rot. Bonds5

About 2-(2-aminopyrimidin-5-yl)-N'-(4-methoxybenzoyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbohydrazide

2-(2-aminopyrimidin-5-yl)-N'-(4-methoxybenzoyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbohydrazide (PubChem CID 164516867) has the molecular formula C23H22N8O4S and a molecular weight of 506.55 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-5-yl)-N'-(4-methoxybenzoyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbohydrazide.

Molecular Properties

Compound Name2-(2-aminopyrimidin-5-yl)-N'-(4-methoxybenzoyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbohydrazide
PubChem CID164516867
Molecular FormulaC23H22N8O4S
Molecular Weight506.55 g/mol
Exact Mass506.15
IUPAC Name2-(2-aminopyrimidin-5-yl)-N'-(4-methoxybenzoyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)cc1
InChIInChI=1S/C23H22N8O4S/c1-34-15-4-2-13(3-5-15)21(32)29-30-22(33)17-10-16-18(36-17)20(31-6-8-35-9-7-31)28-19(27-16)14-11-25-23(24)26-12-14/h2-5,10-12H,6-9H2,1H3,(H,29,32)(H,30,33)(H2,24,25,26)
InChIKeyAIGSGJXYLHDMBA-UHFFFAOYSA-N
XLogP1.65
TPSA157.48 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.55
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-aminopyrimidin-5-yl)-N'-(4-methoxybenzoyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-5-yl)-N'-(4-methoxybenzoyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbohydrazide?
The IUPAC name of 2-(2-aminopyrimidin-5-yl)-N'-(4-methoxybenzoyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbohydrazide (CID 164516867) is 2-(2-aminopyrimidin-5-yl)-N'-(4-methoxybenzoyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbohydrazide.
What is the SMILES notation for 2-(2-aminopyrimidin-5-yl)-N'-(4-methoxybenzoyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbohydrazide?
The canonical SMILES for 2-(2-aminopyrimidin-5-yl)-N'-(4-methoxybenzoyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbohydrazide is COc1ccc(C(=O)NNC(=O)c2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)cc1.
What is the InChIKey of 2-(2-aminopyrimidin-5-yl)-N'-(4-methoxybenzoyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbohydrazide?
The InChIKey is AIGSGJXYLHDMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O4S/c1-34-15-4-2-13(3-5-15)21(32)29-30-22(33)17-10-16-18(36-17)20(31-6-8-35-9-7-31)28-19(27-16)14-11-25-23(24)26-12-14/h2-5,10-12H,6-9H2,1H3,(H,29,32)(H,30,33)(H2,24,25,26).
What are the key properties of 2-(2-aminopyrimidin-5-yl)-N'-(4-methoxybenzoyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbohydrazide?
2-(2-aminopyrimidin-5-yl)-N'-(4-methoxybenzoyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbohydrazide has a molecular weight of 506.55 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-5-yl)-N'-(4-methoxybenzoyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbohydrazide is sourced from PubChem (CID 164516867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).