2-amino-4-chloro-6-[(1-cyclobutyl-2-hydroxyethyl)amino]pyrimidine-5-carbaldehyde

C11H15ClN4O2 — CID 54529083

IUPAC2-amino-4-chloro-6-[(1-cyclobutyl-2-hydroxyethyl)amino]pyrimidine-5-carbaldehyde
SMILESNc1nc(Cl)c(C=O)c(NC(CO)C2CCC2)n1
InChIInChI=1S/C11H15ClN4O2/c12-9-7(4-17)10(16-11(13)15-9)14-8(5-18)6-2-1-3-6/h4,6,8,18H,1-3,5H2,(H3,13,14,15,16)
InChIKeyYVEZVHLYYMNLQS-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.10
Rot. Bonds5

About 2-amino-4-chloro-6-[(1-cyclobutyl-2-hydroxyethyl)amino]pyrimidine-5-carbaldehyde

2-amino-4-chloro-6-[(1-cyclobutyl-2-hydroxyethyl)amino]pyrimidine-5-carbaldehyde (PubChem CID 54529083) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-amino-4-chloro-6-[(1-cyclobutyl-2-hydroxyethyl)amino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-chloro-6-[(1-cyclobutyl-2-hydroxyethyl)amino]pyrimidine-5-carbaldehyde
PubChem CID54529083
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name2-amino-4-chloro-6-[(1-cyclobutyl-2-hydroxyethyl)amino]pyrimidine-5-carbaldehyde
SMILESNc1nc(Cl)c(C=O)c(NC(CO)C2CCC2)n1
InChIInChI=1S/C11H15ClN4O2/c12-9-7(4-17)10(16-11(13)15-9)14-8(5-18)6-2-1-3-6/h4,6,8,18H,1-3,5H2,(H3,13,14,15,16)
InChIKeyYVEZVHLYYMNLQS-UHFFFAOYSA-N
XLogP1.10
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-amino-4-chloro-6-[(1-cyclobutyl-2-hydroxyethyl)amino]pyrimidine-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-6-[(1-cyclobutyl-2-hydroxyethyl)amino]pyrimidine-5-carbaldehyde?
The IUPAC name of 2-amino-4-chloro-6-[(1-cyclobutyl-2-hydroxyethyl)amino]pyrimidine-5-carbaldehyde (CID 54529083) is 2-amino-4-chloro-6-[(1-cyclobutyl-2-hydroxyethyl)amino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-amino-4-chloro-6-[(1-cyclobutyl-2-hydroxyethyl)amino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-amino-4-chloro-6-[(1-cyclobutyl-2-hydroxyethyl)amino]pyrimidine-5-carbaldehyde is Nc1nc(Cl)c(C=O)c(NC(CO)C2CCC2)n1.
What is the InChIKey of 2-amino-4-chloro-6-[(1-cyclobutyl-2-hydroxyethyl)amino]pyrimidine-5-carbaldehyde?
The InChIKey is YVEZVHLYYMNLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c12-9-7(4-17)10(16-11(13)15-9)14-8(5-18)6-2-1-3-6/h4,6,8,18H,1-3,5H2,(H3,13,14,15,16).
What are the key properties of 2-amino-4-chloro-6-[(1-cyclobutyl-2-hydroxyethyl)amino]pyrimidine-5-carbaldehyde?
2-amino-4-chloro-6-[(1-cyclobutyl-2-hydroxyethyl)amino]pyrimidine-5-carbaldehyde has a molecular weight of 270.72 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-6-[(1-cyclobutyl-2-hydroxyethyl)amino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 54529083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).