4-(dimethoxymethyl)-2-methoxypyrimidine;2-methoxypyrimidine-4-carbaldehyde

C14H18N4O5 — CID 159479769

IUPAC4-(dimethoxymethyl)-2-methoxypyrimidine;2-methoxypyrimidine-4-carbaldehyde
SMILESCOc1nccc(C(OC)OC)n1.COc1nccc(C=O)n1
InChIInChI=1S/C8H12N2O3.C6H6N2O2/c1-11-7(12-2)6-4-5-9-8(10-6)13-3;1-10-6-7-3-2-5(4-9)8-6/h4-5,7H,1-3H3;2-4H,1H3
InChIKeyLWVVBAJDHZRTGE-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.07
Rot. Bonds6

About 4-(dimethoxymethyl)-2-methoxypyrimidine;2-methoxypyrimidine-4-carbaldehyde

4-(dimethoxymethyl)-2-methoxypyrimidine;2-methoxypyrimidine-4-carbaldehyde (PubChem CID 159479769) has the molecular formula C14H18N4O5 and a molecular weight of 322.32 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-methoxypyrimidine;2-methoxypyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-methoxypyrimidine;2-methoxypyrimidine-4-carbaldehyde
PubChem CID159479769
Molecular FormulaC14H18N4O5
Molecular Weight322.32 g/mol
Exact Mass322.13
IUPAC Name4-(dimethoxymethyl)-2-methoxypyrimidine;2-methoxypyrimidine-4-carbaldehyde
SMILESCOc1nccc(C(OC)OC)n1.COc1nccc(C=O)n1
InChIInChI=1S/C8H12N2O3.C6H6N2O2/c1-11-7(12-2)6-4-5-9-8(10-6)13-3;1-10-6-7-3-2-5(4-9)8-6/h4-5,7H,1-3H3;2-4H,1H3
InChIKeyLWVVBAJDHZRTGE-UHFFFAOYSA-N
XLogP1.07
TPSA105.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-methoxypyrimidine;2-methoxypyrimidine-4-carbaldehyde?
The IUPAC name of 4-(dimethoxymethyl)-2-methoxypyrimidine;2-methoxypyrimidine-4-carbaldehyde (CID 159479769) is 4-(dimethoxymethyl)-2-methoxypyrimidine;2-methoxypyrimidine-4-carbaldehyde.
What is the SMILES notation for 4-(dimethoxymethyl)-2-methoxypyrimidine;2-methoxypyrimidine-4-carbaldehyde?
The canonical SMILES for 4-(dimethoxymethyl)-2-methoxypyrimidine;2-methoxypyrimidine-4-carbaldehyde is COc1nccc(C(OC)OC)n1.COc1nccc(C=O)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-methoxypyrimidine;2-methoxypyrimidine-4-carbaldehyde?
The InChIKey is LWVVBAJDHZRTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3.C6H6N2O2/c1-11-7(12-2)6-4-5-9-8(10-6)13-3;1-10-6-7-3-2-5(4-9)8-6/h4-5,7H,1-3H3;2-4H,1H3.
What are the key properties of 4-(dimethoxymethyl)-2-methoxypyrimidine;2-methoxypyrimidine-4-carbaldehyde?
4-(dimethoxymethyl)-2-methoxypyrimidine;2-methoxypyrimidine-4-carbaldehyde has a molecular weight of 322.32 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-methoxypyrimidine;2-methoxypyrimidine-4-carbaldehyde is sourced from PubChem (CID 159479769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).