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

C11H17N5O3 — CID 43600261

IUPAC2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-6-carboxamide
SMILESO=C(NCCN1CCNCC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N5O3/c17-9-7-8(14-11(19)15-9)10(18)13-3-6-16-4-1-12-2-5-16/h7,12H,1-6H2,(H,13,18)(H2,14,15,17,19)
InChIKeyRKIHOYAOZSLYEL-UHFFFAOYSA-N
MW267.29 g/mol
LogP-2.30
Rot. Bonds4

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

2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-6-carboxamide (PubChem CID 43600261) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-6-carboxamide
PubChem CID43600261
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-6-carboxamide
SMILESO=C(NCCN1CCNCC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N5O3/c17-9-7-8(14-11(19)15-9)10(18)13-3-6-16-4-1-12-2-5-16/h7,12H,1-6H2,(H,13,18)(H2,14,15,17,19)
InChIKeyRKIHOYAOZSLYEL-UHFFFAOYSA-N
XLogP-2.30
TPSA110.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-2.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
Acetamide, 2-(dimethylamino)-N-(2,4-dioxo-1,3,6-trimethyl-1,2,3,4-tetrahydro-5-pyrimidinyl)-
CID 57296
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
4-(piperazine-1-carbonyl)-2,3-dihydro-1H-imidazol-2-one
CID 28788613
6-Amino-1,3-dimethyl-5-piperazin-1-ylpyrimidine-2,4-dione chloride
CID 45105162
6-(piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 54538630
N~1~,N~2~-dimethyl-N~2~-[2-(4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)ethyl]glycinamide
CID 91842553
2-[2-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]ethylamino]acetamide
CID 141015012
1,3-Bis(b-aminoethyl)-6-methyluracil
CID 12641807

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-6-carboxamide (CID 43600261) is 2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-6-carboxamide is O=C(NCCN1CCNCC1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-6-carboxamide?
The InChIKey is RKIHOYAOZSLYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c17-9-7-8(14-11(19)15-9)10(18)13-3-6-16-4-1-12-2-5-16/h7,12H,1-6H2,(H,13,18)(H2,14,15,17,19).
What are the key properties of 2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-6-carboxamide?
2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-6-carboxamide has a molecular weight of 267.29 g/mol, XLogP of -2.30, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-(2-piperazin-1-ylethyl)-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 43600261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).