2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea

C12H15N5O2 — CID 83121210

IUPAC2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea
SMILESNC(=O)NCCNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C12H15N5O2/c13-12(19)15-5-4-14-8-9-7-11(18)17-6-2-1-3-10(17)16-9/h1-3,6-7,14H,4-5,8H2,(H3,13,15,19)
InChIKeySUOVALYONSDKLI-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.55
Rot. Bonds5

About 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea

2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea (PubChem CID 83121210) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea.

Molecular Properties

Compound Name2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea
PubChem CID83121210
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea
SMILESNC(=O)NCCNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C12H15N5O2/c13-12(19)15-5-4-14-8-9-7-11(18)17-6-2-1-3-10(17)16-9/h1-3,6-7,14H,4-5,8H2,(H3,13,15,19)
InChIKeySUOVALYONSDKLI-UHFFFAOYSA-N
XLogP-0.55
TPSA101.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea 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

2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 60671768
2-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671040
2-[(2-thiophen-2-ylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 47010953
2-[(3-methylsulfonylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62670048
2-[(2-pyrrolidin-1-ylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60673235
2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723362
2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106429069
N-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide
CID 78915598
2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55104756
2-[[3-(2-methoxyethoxy)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 103605665
2-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106104512
2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 82881777

Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea?
The IUPAC name of 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea (CID 83121210) is 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea.
What is the SMILES notation for 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea?
The canonical SMILES for 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea is NC(=O)NCCNCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea?
The InChIKey is SUOVALYONSDKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c13-12(19)15-5-4-14-8-9-7-11(18)17-6-2-1-3-10(17)16-9/h1-3,6-7,14H,4-5,8H2,(H3,13,15,19).
What are the key properties of 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea?
2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea has a molecular weight of 261.29 g/mol, XLogP of -0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea is sourced from PubChem (CID 83121210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).