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

C6H6ClN3O — CID 79006284

IUPAC4-amino-6-chloro-2-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(N)c(C=O)c(Cl)n1
InChIInChI=1S/C6H6ClN3O/c1-3-9-5(7)4(2-11)6(8)10-3/h2H,1H3,(H2,8,9,10)
InChIKeyYEGNUOUHPTXCSE-UHFFFAOYSA-N
MW171.59 g/mol
LogP0.83
Rot. Bonds1

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

4-amino-6-chloro-2-methylpyrimidine-5-carbaldehyde (PubChem CID 79006284) has the molecular formula C6H6ClN3O and a molecular weight of 171.59 g/mol. Its IUPAC name is 4-amino-6-chloro-2-methylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-amino-6-chloro-2-methylpyrimidine-5-carbaldehyde
PubChem CID79006284
Molecular FormulaC6H6ClN3O
Molecular Weight171.59 g/mol
Exact Mass171.02
IUPAC Name4-amino-6-chloro-2-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(N)c(C=O)c(Cl)n1
InChIInChI=1S/C6H6ClN3O/c1-3-9-5(7)4(2-11)6(8)10-3/h2H,1H3,(H2,8,9,10)
InChIKeyYEGNUOUHPTXCSE-UHFFFAOYSA-N
XLogP0.83
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.59
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-6-chloro-2-methylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-amino-6-chloro-2-methylpyrimidine-5-carbaldehyde (CID 79006284) is 4-amino-6-chloro-2-methylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-amino-6-chloro-2-methylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-amino-6-chloro-2-methylpyrimidine-5-carbaldehyde is Cc1nc(N)c(C=O)c(Cl)n1.
What is the InChIKey of 4-amino-6-chloro-2-methylpyrimidine-5-carbaldehyde?
The InChIKey is YEGNUOUHPTXCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O/c1-3-9-5(7)4(2-11)6(8)10-3/h2H,1H3,(H2,8,9,10).
What are the key properties of 4-amino-6-chloro-2-methylpyrimidine-5-carbaldehyde?
4-amino-6-chloro-2-methylpyrimidine-5-carbaldehyde has a molecular weight of 171.59 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-2-methylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 79006284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).