1-[1-(oxan-3-yl)ethyl]-3-(2-piperazin-1-ylpyrimidin-5-yl)urea

C16H26N6O2 — CID 128764238

IUPAC1-[1-(oxan-3-yl)ethyl]-3-(2-piperazin-1-ylpyrimidin-5-yl)urea
SMILESCC(NC(=O)Nc1cnc(N2CCNCC2)nc1)C1CCCOC1
InChIInChI=1S/C16H26N6O2/c1-12(13-3-2-8-24-11-13)20-16(23)21-14-9-18-15(19-10-14)22-6-4-17-5-7-22/h9-10,12-13,17H,2-8,11H2,1H3,(H2,20,21,23)
InChIKeyHURBYQXYBOPQSA-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.82
Rot. Bonds4

About 1-[1-(oxan-3-yl)ethyl]-3-(2-piperazin-1-ylpyrimidin-5-yl)urea

1-[1-(oxan-3-yl)ethyl]-3-(2-piperazin-1-ylpyrimidin-5-yl)urea (PubChem CID 128764238) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[1-(oxan-3-yl)ethyl]-3-(2-piperazin-1-ylpyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-[1-(oxan-3-yl)ethyl]-3-(2-piperazin-1-ylpyrimidin-5-yl)urea
PubChem CID128764238
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name1-[1-(oxan-3-yl)ethyl]-3-(2-piperazin-1-ylpyrimidin-5-yl)urea
SMILESCC(NC(=O)Nc1cnc(N2CCNCC2)nc1)C1CCCOC1
InChIInChI=1S/C16H26N6O2/c1-12(13-3-2-8-24-11-13)20-16(23)21-14-9-18-15(19-10-14)22-6-4-17-5-7-22/h9-10,12-13,17H,2-8,11H2,1H3,(H2,20,21,23)
InChIKeyHURBYQXYBOPQSA-UHFFFAOYSA-N
XLogP0.82
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[1-(oxan-3-yl)ethyl]-3-(2-piperazin-1-ylpyrimidin-5-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-cyanocyclopentyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)urea
CID 128764240
N-(2-piperazin-1-ylpyrimidin-5-yl)spiro[3.3]heptane-3-carboxamide
CID 166295473
1-(2-morpholin-4-ylpyrimidin-5-yl)-3-(4-propan-2-ylphenyl)urea
CID 155957576
1-[1-(oxan-4-yl)ethyl]-3-(2-phenylpyrimidin-5-yl)urea
CID 75381215
N-(4-methylphenyl)-2-[1-(oxan-3-yl)ethylamino]acetamide
CID 122141299
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(oxan-3-yl)ethyl]urea
CID 127785789
N-(2-piperazin-1-ylpyrimidin-5-yl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 161311002
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide
CID 71789958
4,4-difluoro-3-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)piperidine-1-carboxamide
CID 128764131
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 94029201
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide
CID 122299154
4-chloro-5-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-2-piperidin-4-ylpyridazin-3-one
CID 168964362

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-3-yl)ethyl]-3-(2-piperazin-1-ylpyrimidin-5-yl)urea?
The IUPAC name of 1-[1-(oxan-3-yl)ethyl]-3-(2-piperazin-1-ylpyrimidin-5-yl)urea (CID 128764238) is 1-[1-(oxan-3-yl)ethyl]-3-(2-piperazin-1-ylpyrimidin-5-yl)urea.
What is the SMILES notation for 1-[1-(oxan-3-yl)ethyl]-3-(2-piperazin-1-ylpyrimidin-5-yl)urea?
The canonical SMILES for 1-[1-(oxan-3-yl)ethyl]-3-(2-piperazin-1-ylpyrimidin-5-yl)urea is CC(NC(=O)Nc1cnc(N2CCNCC2)nc1)C1CCCOC1.
What is the InChIKey of 1-[1-(oxan-3-yl)ethyl]-3-(2-piperazin-1-ylpyrimidin-5-yl)urea?
The InChIKey is HURBYQXYBOPQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-12(13-3-2-8-24-11-13)20-16(23)21-14-9-18-15(19-10-14)22-6-4-17-5-7-22/h9-10,12-13,17H,2-8,11H2,1H3,(H2,20,21,23).
What are the key properties of 1-[1-(oxan-3-yl)ethyl]-3-(2-piperazin-1-ylpyrimidin-5-yl)urea?
1-[1-(oxan-3-yl)ethyl]-3-(2-piperazin-1-ylpyrimidin-5-yl)urea has a molecular weight of 334.42 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-3-yl)ethyl]-3-(2-piperazin-1-ylpyrimidin-5-yl)urea is sourced from PubChem (CID 128764238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).