N-(4-bromo-2-methylphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine

C14H18BrN5 — CID 80921013

IUPACN-(4-bromo-2-methylphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(Br)ccc1Nc1ncnc(NN)c1C(C)C
InChIInChI=1S/C14H18BrN5/c1-8(2)12-13(17-7-18-14(12)20-16)19-11-5-4-10(15)6-9(11)3/h4-8H,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyAMHVNAKXFHJDLM-UHFFFAOYSA-N
MW336.24 g/mol
LogP3.70
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine

N-(4-bromo-2-methylphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80921013) has the molecular formula C14H18BrN5 and a molecular weight of 336.24 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80921013
Molecular FormulaC14H18BrN5
Molecular Weight336.24 g/mol
Exact Mass335.07
IUPAC NameN-(4-bromo-2-methylphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(Br)ccc1Nc1ncnc(NN)c1C(C)C
InChIInChI=1S/C14H18BrN5/c1-8(2)12-13(17-7-18-14(12)20-16)19-11-5-4-10(15)6-9(11)3/h4-8H,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyAMHVNAKXFHJDLM-UHFFFAOYSA-N
XLogP3.70
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 53.70
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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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-2-methylphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine (CID 80921013) is N-(4-bromo-2-methylphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine is Cc1cc(Br)ccc1Nc1ncnc(NN)c1C(C)C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is AMHVNAKXFHJDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5/c1-8(2)12-13(17-7-18-14(12)20-16)19-11-5-4-10(15)6-9(11)3/h4-8H,16H2,1-3H3,(H2,17,18,19,20).
What are the key properties of N-(4-bromo-2-methylphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
N-(4-bromo-2-methylphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 336.24 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80921013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).