4-amino-2-(4-methoxyanilino)-6-propan-2-yloxypyrimidine-5-carbaldehyde

C15H18N4O3 — CID 46222321

IUPAC4-amino-2-(4-methoxyanilino)-6-propan-2-yloxypyrimidine-5-carbaldehyde
SMILESCOc1ccc(Nc2nc(N)c(C=O)c(OC(C)C)n2)cc1
InChIInChI=1S/C15H18N4O3/c1-9(2)22-14-12(8-20)13(16)18-15(19-14)17-10-4-6-11(21-3)7-5-10/h4-9H,1-3H3,(H3,16,17,18,19)
InChIKeyOGUGOHRWQWHRDS-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.41
Rot. Bonds6

About 4-amino-2-(4-methoxyanilino)-6-propan-2-yloxypyrimidine-5-carbaldehyde

4-amino-2-(4-methoxyanilino)-6-propan-2-yloxypyrimidine-5-carbaldehyde (PubChem CID 46222321) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-amino-2-(4-methoxyanilino)-6-propan-2-yloxypyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-amino-2-(4-methoxyanilino)-6-propan-2-yloxypyrimidine-5-carbaldehyde
PubChem CID46222321
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name4-amino-2-(4-methoxyanilino)-6-propan-2-yloxypyrimidine-5-carbaldehyde
SMILESCOc1ccc(Nc2nc(N)c(C=O)c(OC(C)C)n2)cc1
InChIInChI=1S/C15H18N4O3/c1-9(2)22-14-12(8-20)13(16)18-15(19-14)17-10-4-6-11(21-3)7-5-10/h4-9H,1-3H3,(H3,16,17,18,19)
InChIKeyOGUGOHRWQWHRDS-UHFFFAOYSA-N
XLogP2.41
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-amino-2-(4-methoxyanilino)-6-propan-2-yloxypyrimidine-5-carbaldehyde?
The IUPAC name of 4-amino-2-(4-methoxyanilino)-6-propan-2-yloxypyrimidine-5-carbaldehyde (CID 46222321) is 4-amino-2-(4-methoxyanilino)-6-propan-2-yloxypyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-amino-2-(4-methoxyanilino)-6-propan-2-yloxypyrimidine-5-carbaldehyde?
The canonical SMILES for 4-amino-2-(4-methoxyanilino)-6-propan-2-yloxypyrimidine-5-carbaldehyde is COc1ccc(Nc2nc(N)c(C=O)c(OC(C)C)n2)cc1.
What is the InChIKey of 4-amino-2-(4-methoxyanilino)-6-propan-2-yloxypyrimidine-5-carbaldehyde?
The InChIKey is OGUGOHRWQWHRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9(2)22-14-12(8-20)13(16)18-15(19-14)17-10-4-6-11(21-3)7-5-10/h4-9H,1-3H3,(H3,16,17,18,19).
What are the key properties of 4-amino-2-(4-methoxyanilino)-6-propan-2-yloxypyrimidine-5-carbaldehyde?
4-amino-2-(4-methoxyanilino)-6-propan-2-yloxypyrimidine-5-carbaldehyde has a molecular weight of 302.33 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-methoxyanilino)-6-propan-2-yloxypyrimidine-5-carbaldehyde is sourced from PubChem (CID 46222321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).