4-[4-(methoxymethyl)-6-oxo-5-propyl-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde

C14H22N4O3 — CID 135911508

IUPAC4-[4-(methoxymethyl)-6-oxo-5-propyl-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde
SMILESCCCc1c(COC)nc(N2CCN(C=O)CC2)[nH]c1=O
InChIInChI=1S/C14H22N4O3/c1-3-4-11-12(9-21-2)15-14(16-13(11)20)18-7-5-17(10-19)6-8-18/h10H,3-9H2,1-2H3,(H,15,16,20)
InChIKeyPWCCWJUYVOQPGV-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.15
Rot. Bonds6

About 4-[4-(methoxymethyl)-6-oxo-5-propyl-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde

4-[4-(methoxymethyl)-6-oxo-5-propyl-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde (PubChem CID 135911508) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)-6-oxo-5-propyl-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-(methoxymethyl)-6-oxo-5-propyl-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde
PubChem CID135911508
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name4-[4-(methoxymethyl)-6-oxo-5-propyl-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde
SMILESCCCc1c(COC)nc(N2CCN(C=O)CC2)[nH]c1=O
InChIInChI=1S/C14H22N4O3/c1-3-4-11-12(9-21-2)15-14(16-13(11)20)18-7-5-17(10-19)6-8-18/h10H,3-9H2,1-2H3,(H,15,16,20)
InChIKeyPWCCWJUYVOQPGV-UHFFFAOYSA-N
XLogP0.15
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxymethyl)-6-oxo-5-propyl-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[4-(methoxymethyl)-6-oxo-5-propyl-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde (CID 135911508) is 4-[4-(methoxymethyl)-6-oxo-5-propyl-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[4-(methoxymethyl)-6-oxo-5-propyl-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[4-(methoxymethyl)-6-oxo-5-propyl-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde is CCCc1c(COC)nc(N2CCN(C=O)CC2)[nH]c1=O.
What is the InChIKey of 4-[4-(methoxymethyl)-6-oxo-5-propyl-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde?
The InChIKey is PWCCWJUYVOQPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-4-11-12(9-21-2)15-14(16-13(11)20)18-7-5-17(10-19)6-8-18/h10H,3-9H2,1-2H3,(H,15,16,20).
What are the key properties of 4-[4-(methoxymethyl)-6-oxo-5-propyl-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde?
4-[4-(methoxymethyl)-6-oxo-5-propyl-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde has a molecular weight of 294.36 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methoxymethyl)-6-oxo-5-propyl-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde is sourced from PubChem (CID 135911508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).