5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine

C13H16ClN5O — CID 80908587

IUPAC5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
SMILESCCCOc1ccc(Nc2nc(NN)ncc2Cl)cc1
InChIInChI=1S/C13H16ClN5O/c1-2-7-20-10-5-3-9(4-6-10)17-12-11(14)8-16-13(18-12)19-15/h3-6,8H,2,7,15H2,1H3,(H2,16,17,18,19)
InChIKeyPPWZCUFMGKKHOV-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.95
Rot. Bonds6

About 5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine

5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine (PubChem CID 80908587) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
PubChem CID80908587
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
SMILESCCCOc1ccc(Nc2nc(NN)ncc2Cl)cc1
InChIInChI=1S/C13H16ClN5O/c1-2-7-20-10-5-3-9(4-6-10)17-12-11(14)8-16-13(18-12)19-15/h3-6,8H,2,7,15H2,1H3,(H2,16,17,18,19)
InChIKeyPPWZCUFMGKKHOV-UHFFFAOYSA-N
XLogP2.95
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-chloro-2-N-methyl-4-N-(4-propoxyphenyl)pyrimidine-2,4-diamine
CID 80826861
2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80908069
N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927038
5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80919912
5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80931413
2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
CID 106890306
[5-bromo-4-(4-propoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80916147
2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
CID 62329507
5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine
CID 79727989
5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 80932410
5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80918932
3-N-(4-propoxyphenyl)pyrazine-2,3-diamine
CID 102986304

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine (CID 80908587) is 5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine is CCCOc1ccc(Nc2nc(NN)ncc2Cl)cc1.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine?
The InChIKey is PPWZCUFMGKKHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-2-7-20-10-5-3-9(4-6-10)17-12-11(14)8-16-13(18-12)19-15/h3-6,8H,2,7,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine?
5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine has a molecular weight of 293.76 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80908587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).