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

C16H23N5O2 — CID 23607558

IUPAC1-[3-(diethylamino)propyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
SMILESCCN(CC)CCCNC(=O)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C16H23N5O2/c1-3-20(4-2)10-7-9-17-16(23)19-13-12-18-14-8-5-6-11-21(14)15(13)22/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H2,17,19,23)
InChIKeyIZEGYATYVBSFGO-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.55
Rot. Bonds7

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

1-[3-(diethylamino)propyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea (PubChem CID 23607558) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
PubChem CID23607558
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-[3-(diethylamino)propyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
SMILESCCN(CC)CCCNC(=O)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C16H23N5O2/c1-3-20(4-2)10-7-9-17-16(23)19-13-12-18-14-8-5-6-11-21(14)15(13)22/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H2,17,19,23)
InChIKeyIZEGYATYVBSFGO-UHFFFAOYSA-N
XLogP1.55
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(diethylamino)propyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Methoxyethyl)-3-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
CID 71449592
1-(2-Methoxyethyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
CID 71449588
N-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide
CID 71449589
1-(3-Morpholin-4-ylpropyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
CID 71458577
N-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide
CID 71462106
1-(7-Chloro-4-oxo-pyrido[1,2-a]pyrimidin-3-yl)-3-(2-methoxyethyl)urea
CID 90670929
(2S)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]pentanamide
CID 90670938
1-[(1S)-1-cyano-3-methyl-butyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
CID 90670940
1-{4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 23607564
1-Cyclopentyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
CID 23607566
3-(3-cyclohexylureido)-2-methyl-1,4a-diaza-4H-naphthalen-4-one
CID 44010053
1-Cyclohexyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
CID 44782767

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The IUPAC name of 1-[3-(diethylamino)propyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea (CID 23607558) is 1-[3-(diethylamino)propyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The canonical SMILES for 1-[3-(diethylamino)propyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea is CCN(CC)CCCNC(=O)Nc1cnc2ccccn2c1=O.
What is the InChIKey of 1-[3-(diethylamino)propyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
The InChIKey is IZEGYATYVBSFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-3-20(4-2)10-7-9-17-16(23)19-13-12-18-14-8-5-6-11-21(14)15(13)22/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H2,17,19,23).
What are the key properties of 1-[3-(diethylamino)propyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea?
1-[3-(diethylamino)propyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea has a molecular weight of 317.39 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea is sourced from PubChem (CID 23607558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).