1-[4-(8-bromo-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-3-ethylurea

C20H21BrN6O2 — CID 141391981

IUPAC1-[4-(8-bromo-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)nc3c(Br)cncc23)cc1
InChIInChI=1S/C20H21BrN6O2/c1-2-23-20(28)24-14-5-3-13(4-6-14)17-15-11-22-12-16(21)18(15)26-19(25-17)27-7-9-29-10-8-27/h3-6,11-12H,2,7-10H2,1H3,(H2,23,24,28)
InChIKeyYXXWZKDMWZNGLV-UHFFFAOYSA-N
MW457.33 g/mol
LogP3.43
Rot. Bonds4

About 1-[4-(8-bromo-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-3-ethylurea

1-[4-(8-bromo-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-3-ethylurea (PubChem CID 141391981) has the molecular formula C20H21BrN6O2 and a molecular weight of 457.33 g/mol. Its IUPAC name is 1-[4-(8-bromo-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-3-ethylurea.

Molecular Properties

Compound Name1-[4-(8-bromo-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-3-ethylurea
PubChem CID141391981
Molecular FormulaC20H21BrN6O2
Molecular Weight457.33 g/mol
Exact Mass456.09
IUPAC Name1-[4-(8-bromo-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)nc3c(Br)cncc23)cc1
InChIInChI=1S/C20H21BrN6O2/c1-2-23-20(28)24-14-5-3-13(4-6-14)17-15-11-22-12-16(21)18(15)26-19(25-17)27-7-9-29-10-8-27/h3-6,11-12H,2,7-10H2,1H3,(H2,23,24,28)
InChIKeyYXXWZKDMWZNGLV-UHFFFAOYSA-N
XLogP3.43
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-ethylurea
CID 44514481
1-methyl-3-[4-(6-morpholin-4-yl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]urea
CID 67470088
1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl]urea
CID 91294724
[2-[4-(ethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]methyl-propan-2-ylsulfanium
CID 143633058
ethane;1-ethyl-3-[4-(7-ethyl-4-morpholin-4-yl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
CID 143935928
1-[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
CID 141367165
N-ethyl-2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 46913264
1-[4-(6-acetyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-ethylurea
CID 143936129
methyl 2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 59239136
1-ethyl-3-[4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]urea
CID 68865414
3-[4-[[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]phenyl]-1,1-dimethylurea
CID 66586009
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991

Frequently Asked Questions

What is the IUPAC name of 1-[4-(8-bromo-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-3-ethylurea?
The IUPAC name of 1-[4-(8-bromo-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-3-ethylurea (CID 141391981) is 1-[4-(8-bromo-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-3-ethylurea.
What is the SMILES notation for 1-[4-(8-bromo-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-3-ethylurea?
The canonical SMILES for 1-[4-(8-bromo-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-3-ethylurea is CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)nc3c(Br)cncc23)cc1.
What is the InChIKey of 1-[4-(8-bromo-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-3-ethylurea?
The InChIKey is YXXWZKDMWZNGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN6O2/c1-2-23-20(28)24-14-5-3-13(4-6-14)17-15-11-22-12-16(21)18(15)26-19(25-17)27-7-9-29-10-8-27/h3-6,11-12H,2,7-10H2,1H3,(H2,23,24,28).
What are the key properties of 1-[4-(8-bromo-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-3-ethylurea?
1-[4-(8-bromo-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-3-ethylurea has a molecular weight of 457.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(8-bromo-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-3-ethylurea is sourced from PubChem (CID 141391981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).