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

C12H14ClN5O — CID 103293689

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
SMILESCOc1cccc(Cl)c1CNc1ccnc(NN)n1
InChIInChI=1S/C12H14ClN5O/c1-19-10-4-2-3-9(13)8(10)7-16-11-5-6-15-12(17-11)18-14/h2-6H,7,14H2,1H3,(H2,15,16,17,18)
InChIKeyWISFBGVBCTUHGK-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.04
Rot. Bonds5

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

N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine (PubChem CID 103293689) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
PubChem CID103293689
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
SMILESCOc1cccc(Cl)c1CNc1ccnc(NN)n1
InChIInChI=1S/C12H14ClN5O/c1-19-10-4-2-3-9(13)8(10)7-16-11-5-6-15-12(17-11)18-14/h2-6H,7,14H2,1H3,(H2,15,16,17,18)
InChIKeyWISFBGVBCTUHGK-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'}

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 103293691
6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine
CID 103293605
N-[(2-chloro-6-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 103292810
4-N-[(2-chlorophenyl)methyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112891638
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 18520488
N-[(2-chloro-6-methoxyphenyl)methyl]-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103293681
5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine
CID 107874949
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 103292832
N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine
CID 103293215
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 104624373
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80926961
4-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 136782374

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine (CID 103293689) is N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine is COc1cccc(Cl)c1CNc1ccnc(NN)n1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine?
The InChIKey is WISFBGVBCTUHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-19-10-4-2-3-9(13)8(10)7-16-11-5-6-15-12(17-11)18-14/h2-6H,7,14H2,1H3,(H2,15,16,17,18).
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinylpyrimidin-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 N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 103293689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).