N-[(4-bromophenyl)methyl]-6-hydrazinylpyrimidin-4-amine

C11H12BrN5 — CID 80917172

IUPACN-[(4-bromophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(NCc2ccc(Br)cc2)ncn1
InChIInChI=1S/C11H12BrN5/c12-9-3-1-8(2-4-9)6-14-10-5-11(17-13)16-7-15-10/h1-5,7H,6,13H2,(H2,14,15,16,17)
InChIKeyKSNABLBUIOGHFP-UHFFFAOYSA-N
MW294.16 g/mol
LogP2.14
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-6-hydrazinylpyrimidin-4-amine

N-[(4-bromophenyl)methyl]-6-hydrazinylpyrimidin-4-amine (PubChem CID 80917172) has the molecular formula C11H12BrN5 and a molecular weight of 294.16 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
PubChem CID80917172
Molecular FormulaC11H12BrN5
Molecular Weight294.16 g/mol
Exact Mass293.03
IUPAC NameN-[(4-bromophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(NCc2ccc(Br)cc2)ncn1
InChIInChI=1S/C11H12BrN5/c12-9-3-1-8(2-4-9)6-14-10-5-11(17-13)16-7-15-10/h1-5,7H,6,13H2,(H2,14,15,16,17)
InChIKeyKSNABLBUIOGHFP-UHFFFAOYSA-N
XLogP2.14
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 52.14
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

6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80943801
N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80899019
4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-diamine
CID 112860035
N-[(4-bromophenyl)methyl]-1,2-oxazol-3-amine
CID 83312160
N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66329838
4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine
CID 113231864
4-N-benzylpyrimidine-4,6-diamine
CID 3031503
6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine
CID 115265512
6-hydrazinyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 80932371
N-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 62502673
N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine
CID 60917735
N-[(4-bromophenyl)methyl]-5-chloropyridin-2-amine
CID 60705114

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-6-hydrazinylpyrimidin-4-amine (CID 80917172) is N-[(4-bromophenyl)methyl]-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-6-hydrazinylpyrimidin-4-amine is NNc1cc(NCc2ccc(Br)cc2)ncn1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-6-hydrazinylpyrimidin-4-amine?
The InChIKey is KSNABLBUIOGHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5/c12-9-3-1-8(2-4-9)6-14-10-5-11(17-13)16-7-15-10/h1-5,7H,6,13H2,(H2,14,15,16,17).
What are the key properties of N-[(4-bromophenyl)methyl]-6-hydrazinylpyrimidin-4-amine?
N-[(4-bromophenyl)methyl]-6-hydrazinylpyrimidin-4-amine has a molecular weight of 294.16 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80917172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).