2-amino-4-chloro-6-methoxypyrimidine-5-carbaldehyde

C6H6ClN3O2 — CID 11644056

IUPAC2-amino-4-chloro-6-methoxypyrimidine-5-carbaldehyde
SMILESCOc1nc(N)nc(Cl)c1C=O
InChIInChI=1S/C6H6ClN3O2/c1-12-5-3(2-11)4(7)9-6(8)10-5/h2H,1H3,(H2,8,9,10)
InChIKeyIUZDOXGJMNBTQF-UHFFFAOYSA-N
MW187.59 g/mol
LogP0.53
Rot. Bonds2

About 2-amino-4-chloro-6-methoxypyrimidine-5-carbaldehyde

2-amino-4-chloro-6-methoxypyrimidine-5-carbaldehyde (PubChem CID 11644056) has the molecular formula C6H6ClN3O2 and a molecular weight of 187.59 g/mol. Its IUPAC name is 2-amino-4-chloro-6-methoxypyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-chloro-6-methoxypyrimidine-5-carbaldehyde
PubChem CID11644056
Molecular FormulaC6H6ClN3O2
Molecular Weight187.59 g/mol
Exact Mass187.01
IUPAC Name2-amino-4-chloro-6-methoxypyrimidine-5-carbaldehyde
SMILESCOc1nc(N)nc(Cl)c1C=O
InChIInChI=1S/C6H6ClN3O2/c1-12-5-3(2-11)4(7)9-6(8)10-5/h2H,1H3,(H2,8,9,10)
InChIKeyIUZDOXGJMNBTQF-UHFFFAOYSA-N
XLogP0.53
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 50.53
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 2-amino-4-chloro-6-methoxypyrimidine-5-carbaldehyde?
The IUPAC name of 2-amino-4-chloro-6-methoxypyrimidine-5-carbaldehyde (CID 11644056) is 2-amino-4-chloro-6-methoxypyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-amino-4-chloro-6-methoxypyrimidine-5-carbaldehyde?
The canonical SMILES for 2-amino-4-chloro-6-methoxypyrimidine-5-carbaldehyde is COc1nc(N)nc(Cl)c1C=O.
What is the InChIKey of 2-amino-4-chloro-6-methoxypyrimidine-5-carbaldehyde?
The InChIKey is IUZDOXGJMNBTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O2/c1-12-5-3(2-11)4(7)9-6(8)10-5/h2H,1H3,(H2,8,9,10).
What are the key properties of 2-amino-4-chloro-6-methoxypyrimidine-5-carbaldehyde?
2-amino-4-chloro-6-methoxypyrimidine-5-carbaldehyde has a molecular weight of 187.59 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-6-methoxypyrimidine-5-carbaldehyde is sourced from PubChem (CID 11644056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).