1-[5-(3-piperazin-1-ylazetidin-1-yl)pyrimidin-2-yl]-1,3-diazinane-2,4-dione

C15H21N7O2 — CID 177363474

IUPAC1-[5-(3-piperazin-1-ylazetidin-1-yl)pyrimidin-2-yl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ncc(N3CC(N4CCNCC4)C3)cn2)C(=O)N1
InChIInChI=1S/C15H21N7O2/c23-13-1-4-22(15(24)19-13)14-17-7-11(8-18-14)21-9-12(10-21)20-5-2-16-3-6-20/h7-8,12,16H,1-6,9-10H2,(H,19,23,24)
InChIKeyPVNCYUGZHBEAHL-UHFFFAOYSA-N
MW331.38 g/mol
LogP-0.98
Rot. Bonds3

About 1-[5-(3-piperazin-1-ylazetidin-1-yl)pyrimidin-2-yl]-1,3-diazinane-2,4-dione

1-[5-(3-piperazin-1-ylazetidin-1-yl)pyrimidin-2-yl]-1,3-diazinane-2,4-dione (PubChem CID 177363474) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-[5-(3-piperazin-1-ylazetidin-1-yl)pyrimidin-2-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[5-(3-piperazin-1-ylazetidin-1-yl)pyrimidin-2-yl]-1,3-diazinane-2,4-dione
PubChem CID177363474
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name1-[5-(3-piperazin-1-ylazetidin-1-yl)pyrimidin-2-yl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ncc(N3CC(N4CCNCC4)C3)cn2)C(=O)N1
InChIInChI=1S/C15H21N7O2/c23-13-1-4-22(15(24)19-13)14-17-7-11(8-18-14)21-9-12(10-21)20-5-2-16-3-6-20/h7-8,12,16H,1-6,9-10H2,(H,19,23,24)
InChIKeyPVNCYUGZHBEAHL-UHFFFAOYSA-N
XLogP-0.98
TPSA93.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[5-(3-piperazin-1-ylazetidin-1-yl)pyrimidin-2-yl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

1-[5-(2,4-dioxo-1,3-diazinan-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 170163995
1-pyrimidin-2-yl-1,3-diazinane-2,4-dione
CID 70200878
3-[4-(3-piperazin-1-ylazetidin-1-yl)phenoxy]piperidine-2,6-dione
CID 177362134
ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione
CID 177363109
1-methyl-3-(3-piperazin-1-ylazetidin-1-yl)pyrazin-2-one
CID 66196590
1-(6-propan-2-yl-1,2,4-triazin-3-yl)-1,3-diazinane-2,4-dione
CID 177160752
3-[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]-3-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 168882371
2-(2,6-dioxopiperidin-3-yl)-5-(3-piperazin-1-ylazetidin-1-yl)isoindole-1,3-dione;ethane
CID 156709609
4-[1-(5-chloropyrimidin-2-yl)azetidin-3-yl]piperazin-2-one
CID 155942272
4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 168882205
4-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carbonitrile
CID 66196783
1-[1-(4-nitrophenyl)azetidin-3-yl]piperazine
CID 66195237

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-piperazin-1-ylazetidin-1-yl)pyrimidin-2-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[5-(3-piperazin-1-ylazetidin-1-yl)pyrimidin-2-yl]-1,3-diazinane-2,4-dione (CID 177363474) is 1-[5-(3-piperazin-1-ylazetidin-1-yl)pyrimidin-2-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[5-(3-piperazin-1-ylazetidin-1-yl)pyrimidin-2-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[5-(3-piperazin-1-ylazetidin-1-yl)pyrimidin-2-yl]-1,3-diazinane-2,4-dione is O=C1CCN(c2ncc(N3CC(N4CCNCC4)C3)cn2)C(=O)N1.
What is the InChIKey of 1-[5-(3-piperazin-1-ylazetidin-1-yl)pyrimidin-2-yl]-1,3-diazinane-2,4-dione?
The InChIKey is PVNCYUGZHBEAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c23-13-1-4-22(15(24)19-13)14-17-7-11(8-18-14)21-9-12(10-21)20-5-2-16-3-6-20/h7-8,12,16H,1-6,9-10H2,(H,19,23,24).
What are the key properties of 1-[5-(3-piperazin-1-ylazetidin-1-yl)pyrimidin-2-yl]-1,3-diazinane-2,4-dione?
1-[5-(3-piperazin-1-ylazetidin-1-yl)pyrimidin-2-yl]-1,3-diazinane-2,4-dione has a molecular weight of 331.38 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-piperazin-1-ylazetidin-1-yl)pyrimidin-2-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177363474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).