1-[4-[4-amino-6-[1-(benzenesulfonyl)cyclopropyl]pyrimidin-2-yl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea

C24H23N7O3S — CID 70273263

IUPAC1-[4-[4-amino-6-[1-(benzenesulfonyl)cyclopropyl]pyrimidin-2-yl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea
SMILESNc1cc(C2(S(=O)(=O)c3ccccc3)CC2)nc(-c2ccc(NC(=O)NCc3ncc[nH]3)cc2)n1
InChIInChI=1S/C24H23N7O3S/c25-20-14-19(24(10-11-24)35(33,34)18-4-2-1-3-5-18)30-22(31-20)16-6-8-17(9-7-16)29-23(32)28-15-21-26-12-13-27-21/h1-9,12-14H,10-11,15H2,(H,26,27)(H2,25,30,31)(H2,28,29,32)
InChIKeyOYEHGDJURIAYPM-UHFFFAOYSA-N
MW489.56 g/mol
LogP3.23
Rot. Bonds7

About 1-[4-[4-amino-6-[1-(benzenesulfonyl)cyclopropyl]pyrimidin-2-yl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea

1-[4-[4-amino-6-[1-(benzenesulfonyl)cyclopropyl]pyrimidin-2-yl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea (PubChem CID 70273263) has the molecular formula C24H23N7O3S and a molecular weight of 489.56 g/mol. Its IUPAC name is 1-[4-[4-amino-6-[1-(benzenesulfonyl)cyclopropyl]pyrimidin-2-yl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[4-amino-6-[1-(benzenesulfonyl)cyclopropyl]pyrimidin-2-yl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea
PubChem CID70273263
Molecular FormulaC24H23N7O3S
Molecular Weight489.56 g/mol
Exact Mass489.16
IUPAC Name1-[4-[4-amino-6-[1-(benzenesulfonyl)cyclopropyl]pyrimidin-2-yl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea
SMILESNc1cc(C2(S(=O)(=O)c3ccccc3)CC2)nc(-c2ccc(NC(=O)NCc3ncc[nH]3)cc2)n1
InChIInChI=1S/C24H23N7O3S/c25-20-14-19(24(10-11-24)35(33,34)18-4-2-1-3-5-18)30-22(31-20)16-6-8-17(9-7-16)29-23(32)28-15-21-26-12-13-27-21/h1-9,12-14H,10-11,15H2,(H,26,27)(H2,25,30,31)(H2,28,29,32)
InChIKeyOYEHGDJURIAYPM-UHFFFAOYSA-N
XLogP3.23
TPSA155.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-amino-6-[1-(benzenesulfonyl)cyclopropyl]pyrimidin-2-yl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea 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-[4-[4-amino-6-[1-(benzenesulfonyl)cyclopropyl]pyrimidin-2-yl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea?
The IUPAC name of 1-[4-[4-amino-6-[1-(benzenesulfonyl)cyclopropyl]pyrimidin-2-yl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea (CID 70273263) is 1-[4-[4-amino-6-[1-(benzenesulfonyl)cyclopropyl]pyrimidin-2-yl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea.
What is the SMILES notation for 1-[4-[4-amino-6-[1-(benzenesulfonyl)cyclopropyl]pyrimidin-2-yl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea?
The canonical SMILES for 1-[4-[4-amino-6-[1-(benzenesulfonyl)cyclopropyl]pyrimidin-2-yl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea is Nc1cc(C2(S(=O)(=O)c3ccccc3)CC2)nc(-c2ccc(NC(=O)NCc3ncc[nH]3)cc2)n1.
What is the InChIKey of 1-[4-[4-amino-6-[1-(benzenesulfonyl)cyclopropyl]pyrimidin-2-yl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea?
The InChIKey is OYEHGDJURIAYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3S/c25-20-14-19(24(10-11-24)35(33,34)18-4-2-1-3-5-18)30-22(31-20)16-6-8-17(9-7-16)29-23(32)28-15-21-26-12-13-27-21/h1-9,12-14H,10-11,15H2,(H,26,27)(H2,25,30,31)(H2,28,29,32).
What are the key properties of 1-[4-[4-amino-6-[1-(benzenesulfonyl)cyclopropyl]pyrimidin-2-yl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea?
1-[4-[4-amino-6-[1-(benzenesulfonyl)cyclopropyl]pyrimidin-2-yl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea has a molecular weight of 489.56 g/mol, XLogP of 3.23, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-amino-6-[1-(benzenesulfonyl)cyclopropyl]pyrimidin-2-yl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea is sourced from PubChem (CID 70273263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).