2,4-dioxo-N-(3-piperazin-1-ylpropyl)-1H-pyrimidine-6-carboxamide

C12H19N5O3 — CID 43443251

IUPAC2,4-dioxo-N-(3-piperazin-1-ylpropyl)-1H-pyrimidine-6-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H19N5O3/c18-10-8-9(15-12(20)16-10)11(19)14-2-1-5-17-6-3-13-4-7-17/h8,13H,1-7H2,(H,14,19)(H2,15,16,18,20)
InChIKeyHLKBQQGBHPZIHS-UHFFFAOYSA-N
MW281.32 g/mol
LogP-1.91
Rot. Bonds5

About 2,4-dioxo-N-(3-piperazin-1-ylpropyl)-1H-pyrimidine-6-carboxamide

2,4-dioxo-N-(3-piperazin-1-ylpropyl)-1H-pyrimidine-6-carboxamide (PubChem CID 43443251) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2,4-dioxo-N-(3-piperazin-1-ylpropyl)-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-(3-piperazin-1-ylpropyl)-1H-pyrimidine-6-carboxamide
PubChem CID43443251
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name2,4-dioxo-N-(3-piperazin-1-ylpropyl)-1H-pyrimidine-6-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H19N5O3/c18-10-8-9(15-12(20)16-10)11(19)14-2-1-5-17-6-3-13-4-7-17/h8,13H,1-7H2,(H,14,19)(H2,15,16,18,20)
InChIKeyHLKBQQGBHPZIHS-UHFFFAOYSA-N
XLogP-1.91
TPSA110.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
CID 651501
N-Isopropyl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 2227167
6-Amino-1,3-dimethyl-5-(piperazin-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 7131137
N-cyclopropyl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxamide
CID 1505767
1,3-Dimethyl-6-(piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 12816873
6-Amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione chloride
CID 45105162
N~1~,N~2~-dimethyl-N~2~-[2-(4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)ethyl]glycinamide
CID 91842553
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-diazinane-2-carboxamide
CID 146323244
N-(2-aminoethyl)uracil-6-carboxamide
CID 60966285
N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 114383339
n-Butyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 236624
N-(5-diethylaminopentan-2-yl)-2,6-dioxo-3H-pyrimidine-4-carboxamide
CID 301456

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-(3-piperazin-1-ylpropyl)-1H-pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dioxo-N-(3-piperazin-1-ylpropyl)-1H-pyrimidine-6-carboxamide (CID 43443251) is 2,4-dioxo-N-(3-piperazin-1-ylpropyl)-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-(3-piperazin-1-ylpropyl)-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dioxo-N-(3-piperazin-1-ylpropyl)-1H-pyrimidine-6-carboxamide is O=C(NCCCN1CCNCC1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2,4-dioxo-N-(3-piperazin-1-ylpropyl)-1H-pyrimidine-6-carboxamide?
The InChIKey is HLKBQQGBHPZIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c18-10-8-9(15-12(20)16-10)11(19)14-2-1-5-17-6-3-13-4-7-17/h8,13H,1-7H2,(H,14,19)(H2,15,16,18,20).
What are the key properties of 2,4-dioxo-N-(3-piperazin-1-ylpropyl)-1H-pyrimidine-6-carboxamide?
2,4-dioxo-N-(3-piperazin-1-ylpropyl)-1H-pyrimidine-6-carboxamide has a molecular weight of 281.32 g/mol, XLogP of -1.91, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-(3-piperazin-1-ylpropyl)-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 43443251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).