1-(3,3-diphenylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea

C24H22N4O2 — CID 90670925

IUPAC1-(3,3-diphenylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C24H22N4O2/c29-23-21(17-26-22-13-7-8-16-28(22)23)27-24(30)25-15-14-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-13,16-17,20H,14-15H2,(H2,25,27,30)
InChIKeyHRTVMRZSMMFHSB-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.04
Rot. Bonds6

About 1-(3,3-diphenylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea

1-(3,3-diphenylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea (PubChem CID 90670925) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
PubChem CID90670925
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name1-(3,3-diphenylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C24H22N4O2/c29-23-21(17-26-22-13-7-8-16-28(22)23)27-24(30)25-15-14-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-13,16-17,20H,14-15H2,(H2,25,27,30)
InChIKeyHRTVMRZSMMFHSB-UHFFFAOYSA-N
XLogP4.04
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea (CID 90670925) is 1-(3,3-diphenylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea is O=C(NCCC(c1ccccc1)c1ccccc1)Nc1cnc2ccccn2c1=O.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The InChIKey is HRTVMRZSMMFHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-23-21(17-26-22-13-7-8-16-28(22)23)27-24(30)25-15-14-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-13,16-17,20H,14-15H2,(H2,25,27,30).
What are the key properties of 1-(3,3-diphenylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
1-(3,3-diphenylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea has a molecular weight of 398.47 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea is sourced from PubChem (CID 90670925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).