3-(3-piperazin-1-ylprop-2-enylamino)-1H-pyrimidine-2,4-dione

C11H17N5O2 — CID 173452824

IUPAC3-(3-piperazin-1-ylprop-2-enylamino)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1NCC=CN1CCNCC1
InChIInChI=1S/C11H17N5O2/c17-10-2-4-13-11(18)16(10)14-3-1-7-15-8-5-12-6-9-15/h1-2,4,7,12,14H,3,5-6,8-9H2,(H,13,18)
InChIKeyBKASEMTULKDOSN-UHFFFAOYSA-N
MW251.29 g/mol
LogP-1.50
Rot. Bonds4

About 3-(3-piperazin-1-ylprop-2-enylamino)-1H-pyrimidine-2,4-dione

3-(3-piperazin-1-ylprop-2-enylamino)-1H-pyrimidine-2,4-dione (PubChem CID 173452824) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-(3-piperazin-1-ylprop-2-enylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-piperazin-1-ylprop-2-enylamino)-1H-pyrimidine-2,4-dione
PubChem CID173452824
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name3-(3-piperazin-1-ylprop-2-enylamino)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1NCC=CN1CCNCC1
InChIInChI=1S/C11H17N5O2/c17-10-2-4-13-11(18)16(10)14-3-1-7-15-8-5-12-6-9-15/h1-2,4,7,12,14H,3,5-6,8-9H2,(H,13,18)
InChIKeyBKASEMTULKDOSN-UHFFFAOYSA-N
XLogP-1.50
TPSA82.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-piperazin-1-ylprop-2-enylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(3-piperazin-1-ylprop-2-enylamino)-1H-pyrimidine-2,4-dione (CID 173452824) is 3-(3-piperazin-1-ylprop-2-enylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-piperazin-1-ylprop-2-enylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-piperazin-1-ylprop-2-enylamino)-1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)n1NCC=CN1CCNCC1.
What is the InChIKey of 3-(3-piperazin-1-ylprop-2-enylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is BKASEMTULKDOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c17-10-2-4-13-11(18)16(10)14-3-1-7-15-8-5-12-6-9-15/h1-2,4,7,12,14H,3,5-6,8-9H2,(H,13,18).
What are the key properties of 3-(3-piperazin-1-ylprop-2-enylamino)-1H-pyrimidine-2,4-dione?
3-(3-piperazin-1-ylprop-2-enylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 251.29 g/mol, XLogP of -1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperazin-1-ylprop-2-enylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 173452824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).