N-(3-chloro-4-fluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine

C10H11ClFN7 — CID 139976962

IUPACN-(3-chloro-4-fluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine
SMILESNNc1cc(NN)nc(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C10H11ClFN7/c11-6-3-5(1-2-7(6)12)15-10-16-8(18-13)4-9(17-10)19-14/h1-4H,13-14H2,(H3,15,16,17,18,19)
InChIKeyMQGJZVXYHKBFTF-UHFFFAOYSA-N
MW283.70 g/mol
LogP1.58
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine

N-(3-chloro-4-fluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine (PubChem CID 139976962) has the molecular formula C10H11ClFN7 and a molecular weight of 283.70 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine
PubChem CID139976962
Molecular FormulaC10H11ClFN7
Molecular Weight283.70 g/mol
Exact Mass283.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine
SMILESNNc1cc(NN)nc(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C10H11ClFN7/c11-6-3-5(1-2-7(6)12)15-10-16-8(18-13)4-9(17-10)19-14/h1-4H,13-14H2,(H3,15,16,17,18,19)
InChIKeyMQGJZVXYHKBFTF-UHFFFAOYSA-N
XLogP1.58
TPSA113.91 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 51.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine (CID 139976962) is N-(3-chloro-4-fluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine is NNc1cc(NN)nc(Nc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine?
The InChIKey is MQGJZVXYHKBFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN7/c11-6-3-5(1-2-7(6)12)15-10-16-8(18-13)4-9(17-10)19-14/h1-4H,13-14H2,(H3,15,16,17,18,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine?
N-(3-chloro-4-fluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine has a molecular weight of 283.70 g/mol, XLogP of 1.58, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine is sourced from PubChem (CID 139976962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).