1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea

C25H29N7O4 — CID 67297521

IUPAC1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
SMILESCOc1cnc(-c2ccc(NC(=O)Nc3ccc(N4CCOCC4)nc3)cc2)nc1N1CCOCC1
InChIInChI=1S/C25H29N7O4/c1-34-21-17-27-23(30-24(21)32-10-14-36-15-11-32)18-2-4-19(5-3-18)28-25(33)29-20-6-7-22(26-16-20)31-8-12-35-13-9-31/h2-7,16-17H,8-15H2,1H3,(H2,28,29,33)
InChIKeyKZVXTRRZFDJURI-UHFFFAOYSA-N
MW491.55 g/mol
LogP2.86
Rot. Bonds6

About 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea

1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea (PubChem CID 67297521) has the molecular formula C25H29N7O4 and a molecular weight of 491.55 g/mol. Its IUPAC name is 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
PubChem CID67297521
Molecular FormulaC25H29N7O4
Molecular Weight491.55 g/mol
Exact Mass491.23
IUPAC Name1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
SMILESCOc1cnc(-c2ccc(NC(=O)Nc3ccc(N4CCOCC4)nc3)cc2)nc1N1CCOCC1
InChIInChI=1S/C25H29N7O4/c1-34-21-17-27-23(30-24(21)32-10-14-36-15-11-32)18-2-4-19(5-3-18)28-25(33)29-20-6-7-22(26-16-20)31-8-12-35-13-9-31/h2-7,16-17H,8-15H2,1H3,(H2,28,29,33)
InChIKeyKZVXTRRZFDJURI-UHFFFAOYSA-N
XLogP2.86
TPSA113.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(6-morpholin-4-yl-3-pyridinyl)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-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The IUPAC name of 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea (CID 67297521) is 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea is COc1cnc(-c2ccc(NC(=O)Nc3ccc(N4CCOCC4)nc3)cc2)nc1N1CCOCC1.
What is the InChIKey of 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The InChIKey is KZVXTRRZFDJURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O4/c1-34-21-17-27-23(30-24(21)32-10-14-36-15-11-32)18-2-4-19(5-3-18)28-25(33)29-20-6-7-22(26-16-20)31-8-12-35-13-9-31/h2-7,16-17H,8-15H2,1H3,(H2,28,29,33).
What are the key properties of 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea?
1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea has a molecular weight of 491.55 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea is sourced from PubChem (CID 67297521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).