2-amino-4-chloro-6-[cyclohexyl(methyl)amino]pyrimidine-5-carbaldehyde

C12H17ClN4O — CID 102389134

IUPAC2-amino-4-chloro-6-[cyclohexyl(methyl)amino]pyrimidine-5-carbaldehyde
SMILESCN(c1nc(N)nc(Cl)c1C=O)C1CCCCC1
InChIInChI=1S/C12H17ClN4O/c1-17(8-5-3-2-4-6-8)11-9(7-18)10(13)15-12(14)16-11/h7-8H,2-6H2,1H3,(H2,14,15,16)
InChIKeyHZCFSQNGGRAGPY-UHFFFAOYSA-N
MW268.75 g/mol
LogP2.29
Rot. Bonds3

About 2-amino-4-chloro-6-[cyclohexyl(methyl)amino]pyrimidine-5-carbaldehyde

2-amino-4-chloro-6-[cyclohexyl(methyl)amino]pyrimidine-5-carbaldehyde (PubChem CID 102389134) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 2-amino-4-chloro-6-[cyclohexyl(methyl)amino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-chloro-6-[cyclohexyl(methyl)amino]pyrimidine-5-carbaldehyde
PubChem CID102389134
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name2-amino-4-chloro-6-[cyclohexyl(methyl)amino]pyrimidine-5-carbaldehyde
SMILESCN(c1nc(N)nc(Cl)c1C=O)C1CCCCC1
InChIInChI=1S/C12H17ClN4O/c1-17(8-5-3-2-4-6-8)11-9(7-18)10(13)15-12(14)16-11/h7-8H,2-6H2,1H3,(H2,14,15,16)
InChIKeyHZCFSQNGGRAGPY-UHFFFAOYSA-N
XLogP2.29
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 52.29
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-[cyclohexyl(methyl)amino]pyrimidine-5-carbaldehyde?
The IUPAC name of 2-amino-4-chloro-6-[cyclohexyl(methyl)amino]pyrimidine-5-carbaldehyde (CID 102389134) is 2-amino-4-chloro-6-[cyclohexyl(methyl)amino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-amino-4-chloro-6-[cyclohexyl(methyl)amino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-amino-4-chloro-6-[cyclohexyl(methyl)amino]pyrimidine-5-carbaldehyde is CN(c1nc(N)nc(Cl)c1C=O)C1CCCCC1.
What is the InChIKey of 2-amino-4-chloro-6-[cyclohexyl(methyl)amino]pyrimidine-5-carbaldehyde?
The InChIKey is HZCFSQNGGRAGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-17(8-5-3-2-4-6-8)11-9(7-18)10(13)15-12(14)16-11/h7-8H,2-6H2,1H3,(H2,14,15,16).
What are the key properties of 2-amino-4-chloro-6-[cyclohexyl(methyl)amino]pyrimidine-5-carbaldehyde?
2-amino-4-chloro-6-[cyclohexyl(methyl)amino]pyrimidine-5-carbaldehyde has a molecular weight of 268.75 g/mol, XLogP of 2.29, 3 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-[cyclohexyl(methyl)amino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 102389134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).