1-[4-(4-chloro-5-ethoxy-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-3-ylurea

C22H23ClN6O3 — CID 89154447

IUPAC1-[4-(4-chloro-5-ethoxy-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-3-ylurea
SMILESCCOc1c(Cl)nc(-c2ccc(NC(=O)Nc3cccnc3)cc2)nc1N1CCOCC1
InChIInChI=1S/C22H23ClN6O3/c1-2-32-18-19(23)27-20(28-21(18)29-10-12-31-13-11-29)15-5-7-16(8-6-15)25-22(30)26-17-4-3-9-24-14-17/h3-9,14H,2,10-13H2,1H3,(H2,25,26,30)
InChIKeySLFPKUBLCYNZSM-UHFFFAOYSA-N
MW454.92 g/mol
LogP4.07
Rot. Bonds6

About 1-[4-(4-chloro-5-ethoxy-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-3-ylurea

1-[4-(4-chloro-5-ethoxy-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-3-ylurea (PubChem CID 89154447) has the molecular formula C22H23ClN6O3 and a molecular weight of 454.92 g/mol. Its IUPAC name is 1-[4-(4-chloro-5-ethoxy-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[4-(4-chloro-5-ethoxy-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-3-ylurea
PubChem CID89154447
Molecular FormulaC22H23ClN6O3
Molecular Weight454.92 g/mol
Exact Mass454.15
IUPAC Name1-[4-(4-chloro-5-ethoxy-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-3-ylurea
SMILESCCOc1c(Cl)nc(-c2ccc(NC(=O)Nc3cccnc3)cc2)nc1N1CCOCC1
InChIInChI=1S/C22H23ClN6O3/c1-2-32-18-19(23)27-20(28-21(18)29-10-12-31-13-11-29)15-5-7-16(8-6-15)25-22(30)26-17-4-3-9-24-14-17/h3-9,14H,2,10-13H2,1H3,(H2,25,26,30)
InChIKeySLFPKUBLCYNZSM-UHFFFAOYSA-N
XLogP4.07
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.92
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-(4-chloro-5-ethoxy-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-3-ylurea 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-chloro-5-ethoxy-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[4-(4-chloro-5-ethoxy-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-3-ylurea (CID 89154447) is 1-[4-(4-chloro-5-ethoxy-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[4-(4-chloro-5-ethoxy-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[4-(4-chloro-5-ethoxy-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-3-ylurea is CCOc1c(Cl)nc(-c2ccc(NC(=O)Nc3cccnc3)cc2)nc1N1CCOCC1.
What is the InChIKey of 1-[4-(4-chloro-5-ethoxy-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-3-ylurea?
The InChIKey is SLFPKUBLCYNZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O3/c1-2-32-18-19(23)27-20(28-21(18)29-10-12-31-13-11-29)15-5-7-16(8-6-15)25-22(30)26-17-4-3-9-24-14-17/h3-9,14H,2,10-13H2,1H3,(H2,25,26,30).
What are the key properties of 1-[4-(4-chloro-5-ethoxy-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-3-ylurea?
1-[4-(4-chloro-5-ethoxy-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-3-ylurea has a molecular weight of 454.92 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-5-ethoxy-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 89154447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).