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

C21H22N6O3 — CID 53329146

IUPAC1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea
SMILESCOc1cnc(-c2ccc(NC(=O)Nc3ccncc3)cc2)nc1N1CCOCC1
InChIInChI=1S/C21H22N6O3/c1-29-18-14-23-19(26-20(18)27-10-12-30-13-11-27)15-2-4-16(5-3-15)24-21(28)25-17-6-8-22-9-7-17/h2-9,14H,10-13H2,1H3,(H2,22,24,25,28)
InChIKeyWOSZFDBIASPVAW-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.03
Rot. Bonds5

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

1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea (PubChem CID 53329146) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea
PubChem CID53329146
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC Name1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea
SMILESCOc1cnc(-c2ccc(NC(=O)Nc3ccncc3)cc2)nc1N1CCOCC1
InChIInChI=1S/C21H22N6O3/c1-29-18-14-23-19(26-20(18)27-10-12-30-13-11-27)15-2-4-16(5-3-15)24-21(28)25-17-6-8-22-9-7-17/h2-9,14H,10-13H2,1H3,(H2,22,24,25,28)
InChIKeyWOSZFDBIASPVAW-UHFFFAOYSA-N
XLogP3.03
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-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-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea (CID 53329146) is 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea is COc1cnc(-c2ccc(NC(=O)Nc3ccncc3)cc2)nc1N1CCOCC1.
What is the InChIKey of 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea?
The InChIKey is WOSZFDBIASPVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-29-18-14-23-19(26-20(18)27-10-12-30-13-11-27)15-2-4-16(5-3-15)24-21(28)25-17-6-8-22-9-7-17/h2-9,14H,10-13H2,1H3,(H2,22,24,25,28).
What are the key properties of 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea?
1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea has a molecular weight of 406.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 53329146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).