5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine

C12H14ClN5O — CID 80932410

IUPAC5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(NN)ncc2Cl)cc1
InChIInChI=1S/C12H14ClN5O/c1-19-9-4-2-8(3-5-9)6-15-11-10(13)7-16-12(17-11)18-14/h2-5,7H,6,14H2,1H3,(H2,15,16,17,18)
InChIKeyVHXITQVYCADWBM-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.04
Rot. Bonds5

About 5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine

5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 80932410) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID80932410
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(NN)ncc2Cl)cc1
InChIInChI=1S/C12H14ClN5O/c1-19-9-4-2-8(3-5-9)6-15-11-10(13)7-16-12(17-11)18-14/h2-5,7H,6,14H2,1H3,(H2,15,16,17,18)
InChIKeyVHXITQVYCADWBM-UHFFFAOYSA-N
XLogP2.04
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.04
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-methoxyphenyl)methyl]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-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
CID 90902051
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 18520488
3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 29285859
5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80918932
1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80915615
5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80919912
5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine
CID 80898024
5-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 115620538
5-chloro-2-N-ethyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 80792892
4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol
CID 80898809
2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 79632889
5-fluoro-2-hydrazinyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine
CID 80902838

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine (CID 80932410) is 5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine is COc1ccc(CNc2nc(NN)ncc2Cl)cc1.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is VHXITQVYCADWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-19-9-4-2-8(3-5-9)6-15-11-10(13)7-16-12(17-11)18-14/h2-5,7H,6,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 279.73 g/mol, XLogP of 2.04, 5 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-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80932410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).