4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-2-one

C11H15N5O2 — CID 47246051

IUPAC4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-2-one
SMILESO=C1CN(C(=O)CCNc2ncccn2)CCN1
InChIInChI=1S/C11H15N5O2/c17-9-8-16(7-6-12-9)10(18)2-5-15-11-13-3-1-4-14-11/h1,3-4H,2,5-8H2,(H,12,17)(H,13,14,15)
InChIKeyBHKSJSQRTOJUOC-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.76
Rot. Bonds4

About 4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-2-one

4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-2-one (PubChem CID 47246051) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-2-one
PubChem CID47246051
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-2-one
SMILESO=C1CN(C(=O)CCNc2ncccn2)CCN1
InChIInChI=1S/C11H15N5O2/c17-9-8-16(7-6-12-9)10(18)2-5-15-11-13-3-1-4-14-11/h1,3-4H,2,5-8H2,(H,12,17)(H,13,14,15)
InChIKeyBHKSJSQRTOJUOC-UHFFFAOYSA-N
XLogP-0.76
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-oxopiperazin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione
CID 127255241
4-(2-pyridin-2-ylacetyl)piperazin-2-one
CID 62850564
N-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide
CID 134028981
6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid
CID 43447158
4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one
CID 65292594
1-(1,3-dihydroisoindol-2-yl)-4-(pyrimidin-2-ylamino)butan-1-one
CID 122156241
4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
CID 60718090
4-(3-ethoxypropanoyl)piperazin-2-one
CID 62849149
4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride
CID 119681640
4-(2-bromopyridine-3-carbonyl)piperazin-2-one
CID 103753853
1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 94036422
4-(2-tert-butylsulfanylacetyl)piperazin-2-one
CID 35795928

Frequently Asked Questions

What is the IUPAC name of 4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-2-one?
The IUPAC name of 4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-2-one (CID 47246051) is 4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-2-one.
What is the SMILES notation for 4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-2-one?
The canonical SMILES for 4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-2-one is O=C1CN(C(=O)CCNc2ncccn2)CCN1.
What is the InChIKey of 4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-2-one?
The InChIKey is BHKSJSQRTOJUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c17-9-8-16(7-6-12-9)10(18)2-5-15-11-13-3-1-4-14-11/h1,3-4H,2,5-8H2,(H,12,17)(H,13,14,15).
What are the key properties of 4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-2-one?
4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-2-one has a molecular weight of 249.27 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(pyrimidin-2-ylamino)propanoyl]piperazin-2-one is sourced from PubChem (CID 47246051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).