1-[5-[2-[[6-[2-(dimethylamino)ethoxy]-7-methoxypyrido[3,2-d]pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea

C24H28N8O3S — CID 59268696

IUPAC1-[5-[2-[[6-[2-(dimethylamino)ethoxy]-7-methoxypyrido[3,2-d]pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea
SMILESCOc1cc2ncnc(NCCc3cnc(NC(=O)Nc4ccccc4)s3)c2nc1OCCN(C)C
InChIInChI=1S/C24H28N8O3S/c1-32(2)11-12-35-22-19(34-3)13-18-20(30-22)21(28-15-27-18)25-10-9-17-14-26-24(36-17)31-23(33)29-16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3,(H,25,27,28)(H2,26,29,31,33)
InChIKeyQIWHMTBDQKSUSI-UHFFFAOYSA-N
MW508.61 g/mol
LogP3.73
Rot. Bonds11

About 1-[5-[2-[[6-[2-(dimethylamino)ethoxy]-7-methoxypyrido[3,2-d]pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea

1-[5-[2-[[6-[2-(dimethylamino)ethoxy]-7-methoxypyrido[3,2-d]pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea (PubChem CID 59268696) has the molecular formula C24H28N8O3S and a molecular weight of 508.61 g/mol. Its IUPAC name is 1-[5-[2-[[6-[2-(dimethylamino)ethoxy]-7-methoxypyrido[3,2-d]pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-[2-[[6-[2-(dimethylamino)ethoxy]-7-methoxypyrido[3,2-d]pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea
PubChem CID59268696
Molecular FormulaC24H28N8O3S
Molecular Weight508.61 g/mol
Exact Mass508.20
IUPAC Name1-[5-[2-[[6-[2-(dimethylamino)ethoxy]-7-methoxypyrido[3,2-d]pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea
SMILESCOc1cc2ncnc(NCCc3cnc(NC(=O)Nc4ccccc4)s3)c2nc1OCCN(C)C
InChIInChI=1S/C24H28N8O3S/c1-32(2)11-12-35-22-19(34-3)13-18-20(30-22)21(28-15-27-18)25-10-9-17-14-26-24(36-17)31-23(33)29-16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3,(H,25,27,28)(H2,26,29,31,33)
InChIKeyQIWHMTBDQKSUSI-UHFFFAOYSA-N
XLogP3.73
TPSA126.42 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.61
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1-[5-[2-[[6-[2-(dimethylamino)ethoxy]-7-methoxypyrido[3,2-d]pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea 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 1-[5-[2-[[6-[2-(dimethylamino)ethoxy]-7-methoxypyrido[3,2-d]pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea?
The IUPAC name of 1-[5-[2-[[6-[2-(dimethylamino)ethoxy]-7-methoxypyrido[3,2-d]pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea (CID 59268696) is 1-[5-[2-[[6-[2-(dimethylamino)ethoxy]-7-methoxypyrido[3,2-d]pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[5-[2-[[6-[2-(dimethylamino)ethoxy]-7-methoxypyrido[3,2-d]pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea?
The canonical SMILES for 1-[5-[2-[[6-[2-(dimethylamino)ethoxy]-7-methoxypyrido[3,2-d]pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea is COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4ccccc4)s3)c2nc1OCCN(C)C.
What is the InChIKey of 1-[5-[2-[[6-[2-(dimethylamino)ethoxy]-7-methoxypyrido[3,2-d]pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea?
The InChIKey is QIWHMTBDQKSUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O3S/c1-32(2)11-12-35-22-19(34-3)13-18-20(30-22)21(28-15-27-18)25-10-9-17-14-26-24(36-17)31-23(33)29-16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3,(H,25,27,28)(H2,26,29,31,33).
What are the key properties of 1-[5-[2-[[6-[2-(dimethylamino)ethoxy]-7-methoxypyrido[3,2-d]pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea?
1-[5-[2-[[6-[2-(dimethylamino)ethoxy]-7-methoxypyrido[3,2-d]pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea has a molecular weight of 508.61 g/mol, XLogP of 3.73, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[[6-[2-(dimethylamino)ethoxy]-7-methoxypyrido[3,2-d]pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea is sourced from PubChem (CID 59268696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).