4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde

C11H14N4O3 — CID 110850253

IUPAC4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde
SMILESCc1ncc(C(=O)N2CCN(C=O)CC2)c(=O)[nH]1
InChIInChI=1S/C11H14N4O3/c1-8-12-6-9(10(17)13-8)11(18)15-4-2-14(7-16)3-5-15/h6-7H,2-5H2,1H3,(H,12,13,17)
InChIKeyMADFWYPDNOPTDK-UHFFFAOYSA-N
MW250.26 g/mol
LogP-1.01
Rot. Bonds2

About 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde

4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde (PubChem CID 110850253) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde
PubChem CID110850253
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde
SMILESCc1ncc(C(=O)N2CCN(C=O)CC2)c(=O)[nH]1
InChIInChI=1S/C11H14N4O3/c1-8-12-6-9(10(17)13-8)11(18)15-4-2-14(7-16)3-5-15/h6-7H,2-5H2,1H3,(H,12,13,17)
InChIKeyMADFWYPDNOPTDK-UHFFFAOYSA-N
XLogP-1.01
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dimethyl-6-oxopyrimidine-5-carboxamide;ethane
CID 141822291
6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-3-carboxamide
CID 156102762
5-Iodo-2-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 66340706
2-tert-butyl-5-[4-(3-methoxypropyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 70733974
N-ethyl-2-{4-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1-piperazinyl}acetamide
CID 72909858
5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82507534
2-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82507622
2-methyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82509423
2-ethyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82509438
2-amino-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82509518
2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82510676
5-(piperazin-1-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 82510715

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde (CID 110850253) is 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde is Cc1ncc(C(=O)N2CCN(C=O)CC2)c(=O)[nH]1.
What is the InChIKey of 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde?
The InChIKey is MADFWYPDNOPTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-8-12-6-9(10(17)13-8)11(18)15-4-2-14(7-16)3-5-15/h6-7H,2-5H2,1H3,(H,12,13,17).
What are the key properties of 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde?
4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde has a molecular weight of 250.26 g/mol, XLogP of -1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 110850253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).