6-(3-piperazin-1-ylazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione

C12H17N5O3 — CID 66202057

IUPAC6-(3-piperazin-1-ylazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C12H17N5O3/c18-10-5-9(14-12(20)15-10)11(19)17-6-8(7-17)16-3-1-13-2-4-16/h5,8,13H,1-4,6-7H2,(H2,14,15,18,20)
InChIKeyWFNGLAXHYKGHIW-UHFFFAOYSA-N
MW279.30 g/mol
LogP-2.21
Rot. Bonds2

About 6-(3-piperazin-1-ylazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione

6-(3-piperazin-1-ylazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 66202057) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-(3-piperazin-1-ylazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-piperazin-1-ylazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID66202057
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name6-(3-piperazin-1-ylazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C12H17N5O3/c18-10-5-9(14-12(20)15-10)11(19)17-6-8(7-17)16-3-1-13-2-4-16/h5,8,13H,1-4,6-7H2,(H2,14,15,18,20)
InChIKeyWFNGLAXHYKGHIW-UHFFFAOYSA-N
XLogP-2.21
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-2.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-piperazin-1-ylazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-piperazin-1-ylazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione (CID 66202057) is 6-(3-piperazin-1-ylazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-piperazin-1-ylazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-piperazin-1-ylazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CC(N2CCNCC2)C1.
What is the InChIKey of 6-(3-piperazin-1-ylazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is WFNGLAXHYKGHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c18-10-5-9(14-12(20)15-10)11(19)17-6-8(7-17)16-3-1-13-2-4-16/h5,8,13H,1-4,6-7H2,(H2,14,15,18,20).
What are the key properties of 6-(3-piperazin-1-ylazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
6-(3-piperazin-1-ylazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 279.30 g/mol, XLogP of -2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-piperazin-1-ylazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 66202057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).