N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine

C12H14ClN5O — CID 107623693

IUPACN-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc(NN)c2C)ccc1Cl
InChIInChI=1S/C12H14ClN5O/c1-7-11(15-6-16-12(7)18-14)17-8-3-4-9(13)10(5-8)19-2/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyABDQUCVOUZRGSV-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.48
Rot. Bonds4

About N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine

N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 107623693) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID107623693
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC NameN-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc(NN)c2C)ccc1Cl
InChIInChI=1S/C12H14ClN5O/c1-7-11(15-6-16-12(7)18-14)17-8-3-4-9(13)10(5-8)19-2/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyABDQUCVOUZRGSV-UHFFFAOYSA-N
XLogP2.48
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.48
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

4-N-(3-chloro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine
CID 80763406
4-N-(4-chloro-3-methoxyphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 107623592
N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80921046
N-(4-chloro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
CID 58412675
N-(3,4-dimethoxyphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80911783
3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine
CID 107622964
N-(3,4-dichlorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80926306
N-(4-chloro-3-methoxyphenyl)-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 107623718
5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile
CID 107620892
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80928095
N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 107623697
1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297977

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine (CID 107623693) is N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine is COc1cc(Nc2ncnc(NN)c2C)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is ABDQUCVOUZRGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-7-11(15-6-16-12(7)18-14)17-8-3-4-9(13)10(5-8)19-2/h3-6H,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 279.73 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 107623693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).