N-(3,4-dichlorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine

C11H11Cl2N5 — CID 80926388

IUPACN-(3,4-dichlorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2ccc(Cl)c(Cl)c2)nc(NN)n1
InChIInChI=1S/C11H11Cl2N5/c1-6-4-10(17-11(15-6)18-14)16-7-2-3-8(12)9(13)5-7/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyROWNFRCUZVGWHQ-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.12
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine

N-(3,4-dichlorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine (PubChem CID 80926388) has the molecular formula C11H11Cl2N5 and a molecular weight of 284.15 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
PubChem CID80926388
Molecular FormulaC11H11Cl2N5
Molecular Weight284.15 g/mol
Exact Mass283.04
IUPAC NameN-(3,4-dichlorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2ccc(Cl)c(Cl)c2)nc(NN)n1
InChIInChI=1S/C11H11Cl2N5/c1-6-4-10(17-11(15-6)18-14)16-7-2-3-8(12)9(13)5-7/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyROWNFRCUZVGWHQ-UHFFFAOYSA-N
XLogP3.12
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(3,4-dichlorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930759
N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80919313
4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929426
4-N-(3,4-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917730
2-N-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 53437451
4-N-(3,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917453
2-N-(3-chloro-4-methylphenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930142
N-[4-(difluoromethoxy)phenyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80917076
2-hydrazinyl-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 80906686
4-N-(3-chloro-4-methylphenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930110
2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112924846
2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932110

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine (CID 80926388) is N-(3,4-dichlorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine is Cc1cc(Nc2ccc(Cl)c(Cl)c2)nc(NN)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine?
The InChIKey is ROWNFRCUZVGWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N5/c1-6-4-10(17-11(15-6)18-14)16-7-2-3-8(12)9(13)5-7/h2-5H,14H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(3,4-dichlorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine?
N-(3,4-dichlorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine has a molecular weight of 284.15 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80926388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).