1-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)-3-phenylurea

C19H19N5O3 — CID 122179723

IUPAC1-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C19H19N5O3/c25-17-13-16(23-9-11-27-12-10-23)22-18-15(7-4-8-24(17)18)21-19(26)20-14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H2,20,21,26)
InChIKeyNZEXAFHCGFTLQD-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.18
Rot. Bonds3

About 1-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)-3-phenylurea

1-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)-3-phenylurea (PubChem CID 122179723) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)-3-phenylurea
PubChem CID122179723
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name1-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C19H19N5O3/c25-17-13-16(23-9-11-27-12-10-23)22-18-15(7-4-8-24(17)18)21-19(26)20-14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H2,20,21,26)
InChIKeyNZEXAFHCGFTLQD-UHFFFAOYSA-N
XLogP2.18
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)-3-phenylurea?
The IUPAC name of 1-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)-3-phenylurea (CID 122179723) is 1-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)-3-phenylurea.
What is the SMILES notation for 1-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)-3-phenylurea?
The canonical SMILES for 1-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)-3-phenylurea is O=C(Nc1ccccc1)Nc1cccn2c(=O)cc(N3CCOCC3)nc12.
What is the InChIKey of 1-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)-3-phenylurea?
The InChIKey is NZEXAFHCGFTLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-17-13-16(23-9-11-27-12-10-23)22-18-15(7-4-8-24(17)18)21-19(26)20-14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H2,20,21,26).
What are the key properties of 1-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)-3-phenylurea?
1-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)-3-phenylurea has a molecular weight of 365.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)-3-phenylurea is sourced from PubChem (CID 122179723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).