N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine

C13H16ClN5O — CID 103293691

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
SMILESCOc1cccc(Cl)c1CNc1cc(C)nc(NN)n1
InChIInChI=1S/C13H16ClN5O/c1-8-6-12(18-13(17-8)19-15)16-7-9-10(14)4-3-5-11(9)20-2/h3-6H,7,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyQCNFTLJDLXYZPD-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.34
Rot. Bonds5

About N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine

N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine (PubChem CID 103293691) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
PubChem CID103293691
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
SMILESCOc1cccc(Cl)c1CNc1cc(C)nc(NN)n1
InChIInChI=1S/C13H16ClN5O/c1-8-6-12(18-13(17-8)19-15)16-7-9-10(14)4-3-5-11(9)20-2/h3-6H,7,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyQCNFTLJDLXYZPD-UHFFFAOYSA-N
XLogP2.34
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 52.34
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'}

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 103293689
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 80931728
2-N-(2,6-dichlorophenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918282
6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine
CID 103293605
2-[(2-chloro-6-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 103292554
N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine
CID 103293215
N-[(2-chloro-6-methoxyphenyl)methyl]-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103293681
4-[(2-chloro-6-methoxyphenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136782373
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline
CID 104816030
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 103934009
5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine
CID 107874949
3-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine
CID 103291779

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine (CID 103293691) is N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine is COc1cccc(Cl)c1CNc1cc(C)nc(NN)n1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine?
The InChIKey is QCNFTLJDLXYZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-8-6-12(18-13(17-8)19-15)16-7-9-10(14)4-3-5-11(9)20-2/h3-6H,7,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine has a molecular weight of 293.76 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 103293691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).