4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1,2-oxazolidin-3-one

C11H15N5O2 — CID 122282464

IUPAC4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1,2-oxazolidin-3-one
SMILESO=C1NOCC1Nc1cc(N2CCCC2)ncn1
InChIInChI=1S/C11H15N5O2/c17-11-8(6-18-15-11)14-9-5-10(13-7-12-9)16-3-1-2-4-16/h5,7-8H,1-4,6H2,(H,15,17)(H,12,13,14)
InChIKeyNZYWQICPMKJENN-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.08
Rot. Bonds3

About 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1,2-oxazolidin-3-one

4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1,2-oxazolidin-3-one (PubChem CID 122282464) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1,2-oxazolidin-3-one
PubChem CID122282464
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1,2-oxazolidin-3-one
SMILESO=C1NOCC1Nc1cc(N2CCCC2)ncn1
InChIInChI=1S/C11H15N5O2/c17-11-8(6-18-15-11)14-9-5-10(13-7-12-9)16-3-1-2-4-16/h5,7-8H,1-4,6H2,(H,15,17)(H,12,13,14)
InChIKeyNZYWQICPMKJENN-UHFFFAOYSA-N
XLogP-0.08
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 126826523
trans-(1S,2S)-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 133495426
[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80927859
formic acid;N-[(3R,4S)-3-methoxyoxan-4-yl]-6-piperidin-1-ylpyrimidin-4-amine
CID 154915734
4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060204
methyl 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 91827802
N-(6-piperidin-1-ylpyrimidin-4-yl)cyclopentanecarboxamide
CID 90544433
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
N-hydrazinyl-N-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 90800541
4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112855829
1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
CID 115265259
1-methyl-4-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]piperazin-2-one
CID 129398746

Frequently Asked Questions

What is the IUPAC name of 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1,2-oxazolidin-3-one?
The IUPAC name of 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1,2-oxazolidin-3-one (CID 122282464) is 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1,2-oxazolidin-3-one.
What is the SMILES notation for 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1,2-oxazolidin-3-one?
The canonical SMILES for 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1,2-oxazolidin-3-one is O=C1NOCC1Nc1cc(N2CCCC2)ncn1.
What is the InChIKey of 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1,2-oxazolidin-3-one?
The InChIKey is NZYWQICPMKJENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c17-11-8(6-18-15-11)14-9-5-10(13-7-12-9)16-3-1-2-4-16/h5,7-8H,1-4,6H2,(H,15,17)(H,12,13,14).
What are the key properties of 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1,2-oxazolidin-3-one?
4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1,2-oxazolidin-3-one has a molecular weight of 249.27 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1,2-oxazolidin-3-one is sourced from PubChem (CID 122282464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).