1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea

C23H23N7O3 — CID 59268828

IUPAC1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea
SMILESCOc1cc2ncnc(NCCc3cnc(NC(=O)Nc4ccccc4)nc3)c2cc1OC
InChIInChI=1S/C23H23N7O3/c1-32-19-10-17-18(11-20(19)33-2)27-14-28-21(17)24-9-8-15-12-25-22(26-13-15)30-23(31)29-16-6-4-3-5-7-16/h3-7,10-14H,8-9H2,1-2H3,(H,24,27,28)(H2,25,26,29,30,31)
InChIKeyJBTHNTBVGKGXKG-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.74
Rot. Bonds8

About 1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea

1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea (PubChem CID 59268828) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea
PubChem CID59268828
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea
SMILESCOc1cc2ncnc(NCCc3cnc(NC(=O)Nc4ccccc4)nc3)c2cc1OC
InChIInChI=1S/C23H23N7O3/c1-32-19-10-17-18(11-20(19)33-2)27-14-28-21(17)24-9-8-15-12-25-22(26-13-15)30-23(31)29-16-6-4-3-5-7-16/h3-7,10-14H,8-9H2,1-2H3,(H,24,27,28)(H2,25,26,29,30,31)
InChIKeyJBTHNTBVGKGXKG-UHFFFAOYSA-N
XLogP3.74
TPSA123.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-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

Related Compounds

2-[4-[3-[6-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]piperazin-1-yl]ethyl dihydrogen phosphate
CID 59268622
1-(3-chlorophenyl)-3-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea
CID 45137852
1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea
CID 59268644
6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline
CID 151000530
1-[4-[2-[[7-[2-(dimethylamino)ethoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea
CID 59268658
(4-anilino-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate
CID 134271543
7-[7-methoxy-4-[2-(4-methoxyphenyl)ethylamino]quinazolin-6-yl]oxyheptanoic acid
CID 68728406
1-(3-chloro-4-fluorophenyl)-3-[3-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenyl]urea
CID 162663780
2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide
CID 18967578
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]urea
CID 56658587

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea?
The IUPAC name of 1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea (CID 59268828) is 1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea?
The canonical SMILES for 1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea is COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4ccccc4)nc3)c2cc1OC.
What is the InChIKey of 1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea?
The InChIKey is JBTHNTBVGKGXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-32-19-10-17-18(11-20(19)33-2)27-14-28-21(17)24-9-8-15-12-25-22(26-13-15)30-23(31)29-16-6-4-3-5-7-16/h3-7,10-14H,8-9H2,1-2H3,(H,24,27,28)(H2,25,26,29,30,31).
What are the key properties of 1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea?
1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea has a molecular weight of 445.48 g/mol, XLogP of 3.74, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea is sourced from PubChem (CID 59268828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).