2,4-dimethoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde

C11H16N2O3 — CID 87977002

IUPAC2,4-dimethoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde
SMILESCOc1nc(CC(C)C)c(C=O)c(OC)n1
InChIInChI=1S/C11H16N2O3/c1-7(2)5-9-8(6-14)10(15-3)13-11(12-9)16-4/h6-7H,5H2,1-4H3
InChIKeyBRAHATKIBRUKML-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.50
Rot. Bonds5

About 2,4-dimethoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde

2,4-dimethoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde (PubChem CID 87977002) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,4-dimethoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2,4-dimethoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde
PubChem CID87977002
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2,4-dimethoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde
SMILESCOc1nc(CC(C)C)c(C=O)c(OC)n1
InChIInChI=1S/C11H16N2O3/c1-7(2)5-9-8(6-14)10(15-3)13-11(12-9)16-4/h6-7H,5H2,1-4H3
InChIKeyBRAHATKIBRUKML-UHFFFAOYSA-N
XLogP1.50
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-(2-ethoxycarbonylprop-2-enyl)-2,6-dimethoxypyrimidine-5-carboxylate
CID 134975315
1-[4-(2,2-Difluorobutoxy)-6-ethylpyrimidin-5-yl]ethanone
CID 126711019
Ethyl 2,4-dimethoxy-6-prop-2-enylpyrimidine-5-carboxylate
CID 121015747
4-Cyclopropyl-6-methoxypyrimidine-5-carboxylic acid
CID 82401433
4-Cyclopropyl-6-methoxypyrimidine-5-carbaldehyde
CID 83482118
2-Cyclopropyl-4-methoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde
CID 87815027
1-(4-Butoxy-2-chloro-6-methylpyrimidin-5-yl)propan-1-one
CID 170185896
2,4,7-Tri(propan-2-yl)pyrano[2,3-d]pyrimidin-5-one
CID 171769804
4-Ethyl-6-methoxy-2-methylsulfanylpyrimidine-5-carboxamide
CID 176051038
4-Cyclopentyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid
CID 82389261
4-Tert-butyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid
CID 82391850
4-Cyclobutyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid
CID 82392231

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 2,4-dimethoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde (CID 87977002) is 2,4-dimethoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2,4-dimethoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 2,4-dimethoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde is COc1nc(CC(C)C)c(C=O)c(OC)n1.
What is the InChIKey of 2,4-dimethoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde?
The InChIKey is BRAHATKIBRUKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(2)5-9-8(6-14)10(15-3)13-11(12-9)16-4/h6-7H,5H2,1-4H3.
What are the key properties of 2,4-dimethoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde?
2,4-dimethoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde has a molecular weight of 224.26 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 87977002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).