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

C22H24N6O3 — CID 53329860

IUPAC1-[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea
SMILESCCOc1cnc(-c2ccc(NC(=O)Nc3ccncc3)cc2)nc1N1CCOCC1
InChIInChI=1S/C22H24N6O3/c1-2-31-19-15-24-20(27-21(19)28-11-13-30-14-12-28)16-3-5-17(6-4-16)25-22(29)26-18-7-9-23-10-8-18/h3-10,15H,2,11-14H2,1H3,(H2,23,25,26,29)
InChIKeyNAZAMDUGVFALKT-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.42
Rot. Bonds6

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

1-[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea (PubChem CID 53329860) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea
PubChem CID53329860
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name1-[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea
SMILESCCOc1cnc(-c2ccc(NC(=O)Nc3ccncc3)cc2)nc1N1CCOCC1
InChIInChI=1S/C22H24N6O3/c1-2-31-19-15-24-20(27-21(19)28-11-13-30-14-12-28)16-3-5-17(6-4-16)25-22(29)26-18-7-9-23-10-8-18/h3-10,15H,2,11-14H2,1H3,(H2,23,25,26,29)
InChIKeyNAZAMDUGVFALKT-UHFFFAOYSA-N
XLogP3.42
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea (CID 53329860) is 1-[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea is CCOc1cnc(-c2ccc(NC(=O)Nc3ccncc3)cc2)nc1N1CCOCC1.
What is the InChIKey of 1-[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea?
The InChIKey is NAZAMDUGVFALKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-2-31-19-15-24-20(27-21(19)28-11-13-30-14-12-28)16-3-5-17(6-4-16)25-22(29)26-18-7-9-23-10-8-18/h3-10,15H,2,11-14H2,1H3,(H2,23,25,26,29).
What are the key properties of 1-[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea?
1-[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea has a molecular weight of 420.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 53329860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).